#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhv s ILE 389 N 0.00 0.82 -0.23 0.00 1.01 -1.26 -5.12 121.20 116.43 1qhv s ILE 389 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1qhv s ILE 389 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1qhv s ILE 389 CO 0.00 -0.20 0.13 -0.89 0.00 0.00 0.00 174.94 173.97 1qhv s THR 390 N 1.72 5.03 0.24 2.92 2.01 -1.26 -5.10 115.64 121.20 1qhv s THR 390 Ca -0.02 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1qhv s THR 390 Cb -0.18 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1qhv s THR 390 CO -0.08 0.36 -0.07 0.27 -0.69 0.00 0.00 174.62 174.40 1qhv s ILE 391 N 1.10 3.16 -1.06 1.82 -4.36 -1.26 -4.68 121.20 115.92 1qhv s ILE 391 Ca 0.06 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.47 1qhv s ILE 391 Cb -0.14 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.93 1qhv s ILE 391 CO 0.04 -0.29 0.63 0.61 0.24 0.00 0.00 174.94 176.17 1qhv n GLY 392 N -0.53 -0.16 2.37 6.27 0.00 -1.26 -4.92 105.19 106.96 1qhv n GLY 392 Ca -0.08 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1qhv n GLY 392 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhv n ASN 393 N -1.52 5.73 -3.91 1.61 6.94 -1.26 -4.87 115.26 117.98 1qhv n ASN 393 Ca -0.04 -3.76 -0.25 0.00 -0.02 0.00 0.00 54.58 50.51 1qhv n ASN 393 Cb 0.57 -0.60 -0.17 0.00 -2.36 0.00 0.00 39.78 37.22 1qhv n ASN 393 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qhv s LYS 394 N -3.69 1.34 -0.32 -3.83 -0.14 -1.26 -5.10 119.74 106.73 1qhv s LYS 394 Ca 0.52 -0.22 0.04 0.00 -1.36 0.00 0.00 55.97 54.95 1qhv s LYS 394 Cb 0.43 -1.35 0.17 0.00 -1.68 0.00 0.00 37.83 35.40 1qhv s LYS 394 CO -0.12 -0.18 0.46 1.21 -0.76 0.00 0.00 175.35 175.97 1qhv s ASN 395 N 1.39 -0.07 -0.46 2.83 3.84 -1.26 -5.12 114.94 116.10 1qhv s ASN 395 Ca -0.02 -0.59 -0.29 0.00 0.21 0.00 0.00 52.86 52.17 1qhv s ASN 395 Cb -0.13 1.28 0.02 0.00 -0.55 0.00 0.00 41.25 41.86 1qhv s ASN 395 CO -0.04 -0.30 1.26 -0.62 -2.79 0.00 0.00 177.10 174.61 1qhv s ASP 396 N 2.27 6.49 0.48 -4.21 -1.08 -1.26 -4.90 116.67 114.45 1qhv s ASP 396 Ca 0.12 0.59 0.19 0.00 -0.52 0.00 0.00 52.55 52.94 1qhv s ASP 396 Cb -0.11 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 40.00 1qhv s ASP 396 CO -0.21 -1.35 1.98 0.44 0.52 0.00 0.00 175.17 176.55 1qhv h ASP 397 N 9.91 0.20 0.42 -0.34 3.32 -1.95 -0.97 116.42 127.01 1qhv h ASP 397 Ca -0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1qhv h ASP 397 Cb 1.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1qhv h ASP 397 CO 1.12 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 179.04 1qhv n LYS 398 N -4.44 0.49 -0.54 3.56 5.02 -1.26 -2.84 118.16 118.15 1qhv n LYS 398 Ca 0.10 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1qhv n LYS 398 Cb 0.50 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.35 1qhv n LYS 398 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1qhv n LEU 399 N -1.23 4.50 -4.13 -0.35 4.77 -0.37 -4.85 117.00 115.34 1qhv n LEU 399 Ca 0.15 -2.34 -0.28 0.00 -0.03 0.00 0.00 56.01 53.51 1qhv n LEU 399 Cb 0.20 -0.55 -0.16 0.00 -2.33 0.00 0.00 43.42 40.58 1qhv n LEU 399 CO 0.20 0.85 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.71 1qhv s THR 400 N -1.64 1.55 -0.15 -5.08 2.01 -1.13 -0.85 115.64 110.35 1qhv s THR 400 Ca 0.50 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1qhv s THR 400 Cb 0.31 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1qhv s THR 400 CO 0.26 0.44 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.30 1qhv s LEU 401 N 0.30 1.62 0.20 4.42 2.96 -0.16 -3.27 118.68 124.75 1qhv s LEU 401 Ca -0.11 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.18 1qhv s LEU 401 Cb -0.15 -1.08 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 1qhv s LEU 401 CO 0.05 -0.09 0.40 -1.66 -1.32 0.00 0.00 176.35 173.72 1qhv s TRP 402 N 1.54 0.30 -2.04 5.38 -2.14 -0.67 -0.82 118.94 120.49 1qhv s TRP 402 Ca 0.04 -0.65 0.09 0.00 2.66 0.00 0.00 56.10 58.24 1qhv s TRP 402 Cb -0.13 0.11 0.37 0.00 -3.10 0.00 0.00 33.47 30.72 1qhv s TRP 402 CO -0.10 -0.86 1.27 0.25 -2.66 0.00 0.00 176.95 174.86 1qhv n THR 403 N -0.30 0.20 -0.21 0.66 -2.24 -0.71 -2.13 114.28 109.54 1qhv n THR 403 Ca -0.06 -0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1qhv n THR 403 Cb 0.63 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 1qhv n THR 403 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qhv n THR 404 N -0.05 -0.23 0.44 4.28 -2.24 -1.26 -4.41 114.28 110.81 1qhv n THR 404 Ca 0.08 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 1qhv n THR 404 Cb 0.16 -0.26 0.39 0.00 -2.10 0.00 0.00 70.33 68.53 1qhv n THR 404 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qhv h PRO 405 N -0.13 0.00 -2.01 -0.78 0.13 -1.94 -3.37 132.00 123.90 1qhv h PRO 405 Ca -0.02 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.56 1qhv h PRO 405 Cb 0.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.92 1qhv h PRO 405 CO 0.01 0.00 -1.10 -0.40 -0.23 0.00 0.00 178.00 176.27 1qhv n ASP 406 N -2.58 0.42 -4.77 1.44 5.75 -1.26 -5.02 116.55 110.52 1qhv n ASP 406 Ca 0.04 -2.77 -0.37 0.00 -0.01 0.00 0.00 54.79 51.68 1qhv n ASP 406 Cb 0.41 -0.64 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1qhv n ASP 406 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1qhv s PRO 407 N -1.43 3.72 0.99 0.11 0.04 -1.26 -5.03 135.00 132.13 1qhv s PRO 407 Ca 0.36 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1qhv s PRO 407 Cb 0.20 -2.40 0.19 0.00 0.04 0.00 0.00 34.50 32.53 1qhv s PRO 407 CO -0.10 -0.60 1.19 -1.12 0.04 0.00 0.00 177.00 176.42 1qhv s SER 408 N -1.33 2.81 -0.07 6.66 0.01 -1.26 -4.89 113.70 115.64 1qhv s SER 408 Ca 0.64 0.64 -0.37 0.00 1.31 0.00 0.00 55.95 58.17 1qhv s SER 408 Cb -0.29 -0.96 -0.15 0.00 0.21 0.00 0.00 66.02 64.83 1qhv s SER 408 CO 0.36 -2.95 1.64 -2.65 0.41 0.00 0.00 173.24 170.05 1qhv n PRO 409 N -3.98 1.56 -0.18 12.44 -0.02 -1.26 -4.73 135.00 138.82 1qhv n PRO 409 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1qhv n PRO 409 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1qhv n PRO 409 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qhv n ASN 410 N 4.61 0.00 -3.77 2.55 6.94 -0.59 -4.94 115.26 120.06 1qhv n ASN 410 Ca 0.22 -1.25 -0.13 0.00 -0.02 0.00 0.00 54.58 53.41 1qhv n ASN 410 Cb 0.21 -0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.50 1qhv n ASN 410 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qhv s ARG 412 N -1.60 3.26 -0.23 0.00 3.52 -0.61 -1.80 118.95 121.50 1qhv s ARG 412 Ca -0.12 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.62 1qhv s ARG 412 Cb -0.04 -2.78 -0.10 0.00 -1.56 0.00 0.00 34.95 30.47 1qhv s ARG 412 CO 0.02 -0.10 -0.31 -0.89 -0.81 0.00 0.00 175.30 173.22 1qhv n ILE 413 N 4.43 1.51 0.00 4.11 5.41 -1.26 -4.77 119.36 128.79 1qhv n ILE 413 Ca -0.19 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1qhv n ILE 413 Cb 0.51 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1qhv n ILE 413 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1qhv n HIS 414 N -4.37 0.00 -4.11 1.39 -0.00 -1.26 -4.94 115.22 101.94 1qhv n HIS 414 Ca -0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.26 1qhv n HIS 414 Cb 0.70 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.58 1qhv n HIS 414 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1qhv s SER 415 N -2.98 0.90 0.17 0.26 1.04 -1.26 -5.11 113.70 106.72 1qhv s SER 415 Ca 0.00 -0.80 -0.33 0.00 0.48 0.00 0.00 55.95 55.30 1qhv s SER 415 Cb 0.00 0.08 -0.15 0.00 0.10 0.00 0.00 66.02 66.05 1qhv s SER 415 CO 0.00 -0.37 1.33 0.47 0.98 0.00 0.00 173.24 175.65 1qhv n ASP 416 N 0.66 2.05 -3.73 7.02 8.00 -1.26 -2.39 116.55 126.90 1qhv n ASP 416 Ca -0.17 1.13 -0.28 0.00 0.71 0.00 0.00 54.79 56.17 1qhv n ASP 416 Cb 0.58 -1.30 0.02 0.00 -0.02 0.00 0.00 41.12 40.41 1qhv n ASP 416 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qhv n ASN 417 N 2.37 -4.85 -1.01 -2.24 3.02 -1.17 -4.86 115.26 106.52 1qhv n ASN 417 Ca 0.15 -0.66 0.09 0.00 -0.03 0.00 0.00 54.58 54.13 1qhv n ASN 417 Cb 0.26 -3.89 0.25 0.00 -0.61 0.00 0.00 39.78 35.79 1qhv n ASN 417 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1qhv n ASP 418 N -2.72 2.93 -3.77 6.41 5.75 -0.74 -4.76 116.55 119.65 1qhv n ASP 418 Ca 0.02 -1.98 -0.13 0.00 -0.01 0.00 0.00 54.79 52.69 1qhv n ASP 418 Cb 0.54 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 40.18 1qhv n ASP 418 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qhv s LYS 420 N 0.08 3.02 -0.29 0.00 1.02 0.31 -1.54 119.74 122.34 1qhv s LYS 420 Ca -0.01 -1.17 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 1qhv s LYS 420 Cb -0.02 -4.10 -0.01 0.00 -0.52 0.00 0.00 37.83 33.17 1qhv s LYS 420 CO 0.01 -1.04 0.13 0.12 -0.92 0.00 0.00 175.35 173.65 1qhv s PHE 421 N 1.91 3.16 -0.23 3.18 5.36 -1.26 -1.06 117.98 129.04 1qhv s PHE 421 Ca 0.07 -0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 55.44 1qhv s PHE 421 Cb -0.22 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1qhv s PHE 421 CO 0.09 -0.42 0.07 0.99 -1.46 0.00 0.00 175.22 174.49 1qhv s THR 422 N 1.61 4.50 -0.06 0.12 2.01 0.33 -4.84 115.64 119.32 1qhv s THR 422 Ca 0.05 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1qhv s THR 422 Cb -0.17 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.30 1qhv s THR 422 CO 0.06 0.37 0.11 -0.22 -0.69 0.00 0.00 174.62 174.25 1qhv s LEU 423 N 1.23 0.27 -0.18 4.42 2.96 -1.26 -1.03 118.68 125.09 1qhv s LEU 423 Ca 0.05 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1qhv s LEU 423 Cb -0.14 0.11 0.03 0.00 0.50 0.00 0.00 46.19 46.68 1qhv s LEU 423 CO 0.04 -0.22 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.99 1qhv s VAL 424 N 1.92 1.93 -0.21 1.68 1.01 -0.51 -1.74 120.40 124.47 1qhv s VAL 424 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1qhv s VAL 424 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1qhv s VAL 424 CO -0.05 0.45 0.01 -0.76 0.00 0.00 0.00 175.10 174.75 1qhv s LEU 425 N 1.33 3.22 -0.16 3.92 1.43 0.00 -1.78 118.68 126.64 1qhv s LEU 425 Ca 0.03 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1qhv s LEU 425 Cb -0.14 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1qhv s LEU 425 CO -0.12 0.03 -0.21 -0.89 0.23 0.00 0.00 176.35 175.40 1qhv s THR 426 N 1.22 2.04 -0.16 5.49 2.01 0.46 -0.99 115.64 125.70 1qhv s THR 426 Ca 0.03 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 1qhv s THR 426 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1qhv s THR 426 CO 0.01 0.54 1.10 -0.75 -0.69 0.00 0.00 174.62 174.83 1qhv s LYS 427 N 1.08 4.30 -0.62 4.92 2.20 -0.03 -0.62 119.74 130.98 1qhv s LYS 427 Ca -0.00 1.47 0.06 0.00 -0.36 0.00 0.00 55.97 57.14 1qhv s LYS 427 Cb -0.14 -3.63 0.24 0.00 -1.51 0.00 0.00 37.83 32.79 1qhv s LYS 427 CO -0.08 -0.55 0.72 0.00 -0.36 0.00 0.00 175.35 175.08 1qhv n GLY 429 N 0.96 3.65 0.14 0.00 0.00 -1.26 -1.61 105.19 107.07 1qhv n GLY 429 Ca 0.29 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.43 1qhv n GLY 429 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qhv n SER 430 N 9.09 0.44 -4.34 1.61 7.64 -1.26 -4.76 113.62 122.03 1qhv n SER 430 Ca 0.00 -1.13 -0.24 0.00 1.01 0.00 0.00 58.87 58.51 1qhv n SER 430 Cb 0.00 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1qhv n SER 430 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qhv s GLN 431 N -2.01 1.29 -0.19 1.43 -0.21 -0.63 -0.16 119.66 119.17 1qhv s GLN 431 Ca 0.45 -1.35 -0.05 0.00 0.02 0.00 0.00 55.36 54.42 1qhv s GLN 431 Cb 0.22 -1.49 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 1qhv s GLN 431 CO 0.36 0.32 0.01 0.08 -2.12 0.00 0.00 175.29 173.95 1qhv s VAL 432 N -1.63 4.16 -0.16 1.09 1.01 -0.15 -0.55 120.40 124.18 1qhv s VAL 432 Ca 0.14 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1qhv s VAL 432 Cb -0.08 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1qhv s VAL 432 CO 0.06 0.44 0.33 -0.22 0.00 0.00 0.00 175.10 175.71 1qhv s LEU 433 N 0.78 4.24 0.04 3.92 2.96 0.21 -1.89 118.68 128.94 1qhv s LEU 433 Ca 0.01 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1qhv s LEU 433 Cb -0.14 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 1qhv s LEU 433 CO 0.02 0.07 -0.10 0.00 -1.32 0.00 0.00 176.35 175.02 1qhv s ALA 434 N 0.58 0.76 -0.04 5.97 0.00 0.40 -0.41 121.76 129.02 1qhv s ALA 434 Ca 0.18 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1qhv s ALA 434 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1qhv s ALA 434 CO 0.05 0.08 -0.12 -0.08 0.00 0.00 0.00 175.76 175.69 1qhv s THR 435 N -1.06 1.04 0.01 0.00 -1.32 -0.74 -1.46 115.64 112.12 1qhv s THR 435 Ca -0.05 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 59.98 1qhv s THR 435 Cb -0.08 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1qhv s THR 435 CO 0.01 0.31 -0.09 0.54 -2.21 0.00 0.00 174.62 173.19 1qhv s VAL 436 N 0.23 0.67 -0.00 5.08 0.11 -0.38 -1.42 120.40 124.68 1qhv s VAL 436 Ca -0.05 -0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1qhv s VAL 436 Cb -0.11 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1qhv s VAL 436 CO 0.01 0.00 0.31 0.00 -3.33 0.00 0.00 175.10 172.10 1qhv s ALA 437 N -0.58 -0.77 0.02 1.54 0.00 -0.20 -1.55 121.76 120.22 1qhv s ALA 437 Ca -0.00 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1qhv s ALA 437 Cb -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1qhv s ALA 437 CO 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 175.76 175.41 1qhv s ALA 438 N -1.57 0.49 -0.06 0.00 0.00 -1.26 -0.51 121.76 118.84 1qhv s ALA 438 Ca -0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1qhv s ALA 438 Cb -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1qhv s ALA 438 CO 0.03 0.05 0.12 -1.17 0.00 0.00 0.00 175.76 174.79 1qhv s LEU 439 N -0.73 0.22 0.30 0.00 2.96 -0.22 -1.37 118.68 119.83 1qhv s LEU 439 Ca -0.03 0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 1qhv s LEU 439 Cb -0.05 0.13 -0.10 0.00 0.50 0.00 0.00 46.19 46.67 1qhv s LEU 439 CO 0.00 -0.22 1.12 0.00 -1.32 0.00 0.00 176.35 175.93 1qhv s ALA 440 N 1.97 3.38 -0.07 5.97 0.00 0.23 -0.53 121.76 132.71 1qhv s ALA 440 Ca 0.01 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1qhv s ALA 440 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1qhv s ALA 440 CO -0.05 -0.23 0.37 1.33 0.00 0.00 0.00 175.76 177.19 1qhv n VAL 441 N 1.00 0.00 0.01 0.00 0.24 0.01 -4.83 118.33 114.76 1qhv n VAL 441 Ca -0.00 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.81 1qhv n VAL 441 Cb 0.45 1.01 0.02 0.00 -1.47 0.00 0.00 33.84 33.85 1qhv n VAL 441 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1qhv n SER 442 N -0.28 1.80 0.00 -1.34 7.64 -1.24 -5.03 113.62 115.16 1qhv n SER 442 Ca 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.23 1qhv n SER 442 Cb 0.02 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1qhv n SER 442 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhv n GLY 443 N -0.14 -1.27 3.96 0.23 0.00 -1.26 -5.09 105.19 101.63 1qhv n GLY 443 Ca 0.02 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1qhv n GLY 443 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qhv s ASP 444 N -2.64 4.42 0.32 1.61 1.47 -1.26 -4.59 116.67 115.99 1qhv s ASP 444 Ca 0.00 -0.00 0.00 0.00 1.18 0.00 0.00 52.55 53.73 1qhv s ASP 444 Cb 0.00 -0.47 0.52 0.00 -0.34 0.00 0.00 42.92 42.63 1qhv s ASP 444 CO 0.00 -1.82 1.95 -0.07 0.68 0.00 0.00 175.17 175.91 1qhv h LEU 445 N -0.62 0.80 -1.78 2.11 3.38 -0.65 -1.68 115.31 116.87 1qhv h LEU 445 Ca -0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1qhv h LEU 445 Cb 1.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1qhv h LEU 445 CO 0.47 0.64 0.07 0.77 0.09 0.00 0.00 178.44 180.47 1qhv h SER 446 N 0.92 0.19 1.10 -0.43 4.64 -1.44 -0.83 113.55 117.69 1qhv h SER 446 Ca 0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1qhv h SER 446 Cb -0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1qhv h SER 446 CO -0.04 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.55 1qhv n SER 447 N -4.48 0.40 -0.03 4.97 3.41 -0.64 -3.44 113.62 113.80 1qhv n SER 447 Ca -0.01 0.55 0.02 0.00 -0.26 0.00 0.00 58.87 59.17 1qhv n SER 447 Cb 0.11 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.43 1qhv n SER 447 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1qhv n MET 448 N -1.88 2.11 -4.30 4.33 -0.00 -0.42 -4.98 117.12 111.98 1qhv n MET 448 Ca 0.05 -1.51 -0.19 0.00 -0.00 0.00 0.00 57.70 56.06 1qhv n MET 448 Cb 0.34 -0.99 -0.11 0.00 -0.00 0.00 0.00 33.22 32.47 1qhv n MET 448 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1qhv s THR 449 N -1.13 1.56 0.00 3.17 -4.23 -0.59 -4.53 115.64 109.89 1qhv s THR 449 Ca 0.06 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1qhv s THR 449 Cb 0.05 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1qhv s THR 449 CO 0.01 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1qhv n GLY 450 N 0.07 0.54 0.83 3.99 0.00 -1.26 -4.88 105.19 104.48 1qhv n GLY 450 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1qhv n GLY 450 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qhv n THR 451 N 0.00 0.02 -4.29 2.61 -2.24 -1.26 -4.86 114.28 104.26 1qhv n THR 451 Ca 0.00 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1qhv n THR 451 Cb 0.00 1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 1qhv n THR 451 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qhv s VAL 452 N -1.98 4.22 -1.50 2.28 1.01 -1.26 -5.02 120.40 118.15 1qhv s VAL 452 Ca 0.31 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1qhv s VAL 452 Cb 0.20 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1qhv s VAL 452 CO 0.31 0.50 2.57 0.00 0.00 0.00 0.00 175.10 178.48 1qhv n ALA 453 N 3.29 6.43 -3.32 5.51 0.00 -1.26 -4.86 120.51 126.29 1qhv n ALA 453 Ca -0.17 -3.64 -0.13 0.00 0.00 0.00 0.00 53.44 49.50 1qhv n ALA 453 Cb 0.53 -3.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.49 1qhv n ALA 453 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qhv s SER 454 N 2.77 -0.48 -0.08 0.00 1.04 -1.26 -1.97 113.70 113.72 1qhv s SER 454 Ca 0.58 0.03 0.02 0.00 0.48 0.00 0.00 55.95 57.06 1qhv s SER 454 Cb 0.16 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1qhv s SER 454 CO -0.07 -0.86 -0.13 -0.69 0.98 0.00 0.00 173.24 172.47 1qhv s VAL 455 N -3.27 1.23 -0.06 5.02 1.01 -0.31 -4.88 120.40 119.14 1qhv s VAL 455 Ca -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1qhv s VAL 455 Cb -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1qhv s VAL 455 CO -0.09 0.38 -0.17 -0.55 0.00 0.00 0.00 175.10 174.68 1qhv s SER 456 N 0.82 2.20 -0.16 3.32 0.15 -1.26 -0.93 113.70 117.84 1qhv s SER 456 Ca -0.11 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1qhv s SER 456 Cb -0.15 -0.81 0.03 0.00 -1.71 0.00 0.00 66.02 63.38 1qhv s SER 456 CO 0.02 0.12 -0.13 -0.63 1.20 0.00 0.00 173.24 173.82 1qhv s ILE 457 N 0.29 1.58 -0.02 6.45 1.01 0.02 -4.85 121.20 125.68 1qhv s ILE 457 Ca -0.10 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1qhv s ILE 457 Cb -0.14 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1qhv s ILE 457 CO 0.04 0.37 -0.25 0.72 0.00 0.00 0.00 174.94 175.82 1qhv s PHE 458 N 1.47 2.21 -0.16 3.97 -0.71 -1.26 -0.15 117.98 123.34 1qhv s PHE 458 Ca 0.03 -0.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.52 1qhv s PHE 458 Cb -0.14 -1.42 0.02 0.00 -1.21 0.00 0.00 43.02 40.27 1qhv s PHE 458 CO -0.10 -0.03 -0.20 -0.51 -1.34 0.00 0.00 175.22 173.04 1qhv s LEU 459 N -0.59 2.05 -0.06 -1.99 1.43 0.85 -0.45 118.68 119.92 1qhv s LEU 459 Ca 0.10 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1qhv s LEU 459 Cb -0.10 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1qhv s LEU 459 CO -0.01 0.02 -0.10 -0.13 0.23 0.00 0.00 176.35 176.36 1qhv s ARG 460 N 1.15 2.64 0.03 1.70 3.00 -1.26 -1.14 118.95 125.07 1qhv s ARG 460 Ca 0.01 -0.62 0.05 0.00 0.00 0.00 0.00 55.73 55.17 1qhv s ARG 460 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 34.95 32.30 1qhv s ARG 460 CO -0.09 0.64 -0.15 -0.06 0.00 0.00 0.00 175.30 175.65 1qhv s PHE 461 N -0.76 1.28 0.21 -0.53 0.08 0.09 -0.26 117.98 118.08 1qhv s PHE 461 Ca 0.12 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 1qhv s PHE 461 Cb -0.11 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.62 1qhv s PHE 461 CO 0.01 0.03 0.29 -0.40 -0.10 0.00 0.00 175.22 175.05 1qhv n ASP 462 N 1.98 0.03 0.23 1.36 5.68 -0.30 -0.73 116.55 124.81 1qhv n ASP 462 Ca -0.18 -1.11 0.16 0.00 -0.50 0.00 0.00 54.79 53.16 1qhv n ASP 462 Cb 0.55 -0.22 0.75 0.00 -1.14 0.00 0.00 41.12 41.06 1qhv n ASP 462 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1qhv h GLN 463 N 0.00 0.00 -0.53 0.11 -0.00 -1.93 -0.44 115.11 112.33 1qhv h GLN 463 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1qhv h GLN 463 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 1qhv h GLN 463 CO 0.07 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.99 1qhv n ASN 464 N -2.68 3.63 -0.02 0.06 3.02 -1.26 -4.91 115.26 113.10 1qhv n ASN 464 Ca -0.00 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1qhv n ASN 464 Cb 0.16 -0.35 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1qhv n ASN 464 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhv n GLY 465 N 1.49 0.47 3.76 7.41 0.00 -0.17 -0.50 105.19 117.65 1qhv n GLY 465 Ca 0.21 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1qhv n GLY 465 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhv s VAL 466 N -1.99 4.57 0.15 1.61 1.01 -1.26 -4.48 120.40 120.02 1qhv s VAL 466 Ca 0.00 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.36 1qhv s VAL 466 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1qhv s VAL 466 CO 0.00 0.42 1.57 -0.22 0.00 0.00 0.00 175.10 176.87 1qhv s LEU 467 N -0.47 4.37 0.39 3.92 2.96 -1.26 -1.15 118.68 127.44 1qhv s LEU 467 Ca 0.38 2.58 -0.03 0.00 -0.22 0.00 0.00 54.13 56.84 1qhv s LEU 467 Cb -0.22 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1qhv s LEU 467 CO 0.25 -0.82 0.65 -0.04 -1.32 0.00 0.00 176.35 175.07 1qhv s MET 468 N 1.32 3.54 0.49 1.98 -1.94 0.63 -4.92 119.30 120.40 1qhv s MET 468 Ca 0.70 -0.04 0.22 0.00 -1.71 0.00 0.00 55.69 54.87 1qhv s MET 468 Cb -0.43 -2.53 1.26 0.00 2.01 0.00 0.00 34.83 35.14 1qhv s MET 468 CO 0.31 0.01 2.03 1.49 -0.01 0.00 0.00 175.02 178.85 1qhv h GLU 469 N 0.70 0.00 -2.60 2.03 4.57 -1.95 -3.15 114.58 114.18 1qhv h GLU 469 Ca -0.48 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.02 1qhv h GLU 469 Cb 1.21 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.70 1qhv h GLU 469 CO 0.62 0.16 2.38 0.27 -1.18 0.00 0.00 179.01 181.26 1qhv n ASN 470 N -3.88 7.91 -4.15 1.04 6.94 -1.26 -4.81 115.26 117.05 1qhv n ASN 470 Ca -0.02 -3.00 -0.17 0.00 -0.02 0.00 0.00 54.58 51.37 1qhv n ASN 470 Cb 0.25 -1.39 -0.12 0.00 -2.36 0.00 0.00 39.78 36.16 1qhv n ASN 470 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1qhv s SER 471 N 0.82 1.47 0.29 0.53 0.01 -1.19 -4.38 113.70 111.24 1qhv s SER 471 Ca 0.59 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 57.28 1qhv s SER 471 Cb 0.21 -0.02 0.44 0.00 0.21 0.00 0.00 66.02 66.86 1qhv s SER 471 CO -0.10 -0.13 1.69 0.28 0.41 0.00 0.00 173.24 175.40 1qhv h SER 472 N 4.25 0.27 -3.38 2.44 0.02 -1.06 -3.44 113.55 112.66 1qhv h SER 472 Ca -0.39 -0.11 -0.55 0.00 -0.84 0.00 0.00 61.79 59.89 1qhv h SER 472 Cb 1.19 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1qhv h SER 472 CO 0.42 0.66 0.09 -0.22 -1.14 0.00 0.00 176.83 176.64 1qhv s LEU 473 N -8.27 4.43 0.46 5.07 2.96 -1.26 -1.57 118.68 120.50 1qhv s LEU 473 Ca -0.05 1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 54.97 1qhv s LEU 473 Cb 0.13 -3.11 -0.08 0.00 0.50 0.00 0.00 46.19 43.63 1qhv s LEU 473 CO 0.77 0.04 1.11 -0.54 -1.32 0.00 0.00 176.35 176.41 1qhv s LYS 474 N -0.05 3.80 0.33 1.98 1.02 -0.15 -4.98 119.74 121.69 1qhv s LYS 474 Ca 0.36 1.61 0.19 0.00 0.02 0.00 0.00 55.97 58.15 1qhv s LYS 474 Cb -0.19 -2.32 0.17 0.00 -0.52 0.00 0.00 37.83 34.96 1qhv s LYS 474 CO 0.21 -0.47 1.46 1.57 -0.92 0.00 0.00 175.35 177.19 1qhv h LYS 475 N 1.94 0.00 -0.58 1.68 2.10 -1.94 -3.39 116.57 116.38 1qhv h LYS 475 Ca -0.49 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.28 1qhv h LYS 475 Cb 1.24 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.47 1qhv h LYS 475 CO 0.60 0.25 -0.03 1.25 -2.00 0.00 0.00 179.45 179.51 1qhv h HIS 476 N 0.00 -0.10 -1.29 0.07 2.76 -1.98 -2.57 115.15 112.04 1qhv h HIS 476 Ca -0.01 0.04 -0.62 0.00 -2.20 0.00 0.00 60.37 57.58 1qhv h HIS 476 Cb 1.21 0.13 -0.38 0.00 1.55 0.00 0.00 27.41 29.92 1qhv h HIS 476 CO 0.00 -0.17 -0.24 0.66 -1.30 0.00 0.00 177.93 176.88 1qhv n TYR 477 N -5.30 3.12 -3.99 5.26 4.01 -1.26 -4.87 117.16 114.13 1qhv n TYR 477 Ca 0.07 -2.70 -0.31 0.00 -0.16 0.00 0.00 57.90 54.81 1qhv n TYR 477 Cb 0.32 -0.53 -0.15 0.00 -0.31 0.00 0.00 39.34 38.67 1qhv n TYR 477 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1qhv s TRP 478 N -3.69 3.53 0.27 -0.72 -0.11 -0.97 -3.99 118.94 113.27 1qhv s TRP 478 Ca 0.52 -2.96 -0.19 0.00 1.22 0.00 0.00 56.10 54.69 1qhv s TRP 478 Cb 0.42 -2.83 0.07 0.00 -1.50 0.00 0.00 33.47 29.63 1qhv s TRP 478 CO -0.13 -0.91 0.94 1.21 -4.62 0.00 0.00 176.95 173.44 1qhv s ASN 479 N 0.73 0.02 0.83 5.86 2.47 -0.91 -4.88 114.94 119.06 1qhv s ASN 479 Ca 0.12 -0.90 -0.11 0.00 0.42 0.00 0.00 52.86 52.39 1qhv s ASN 479 Cb -0.20 0.65 0.09 0.00 -1.45 0.00 0.00 41.25 40.34 1qhv s ASN 479 CO -0.07 -1.30 1.09 0.72 -3.72 0.00 0.00 177.10 173.82 1qhv s PHE 480 N -2.14 2.47 0.35 0.43 -0.71 -1.26 -1.67 117.98 115.45 1qhv s PHE 480 Ca 0.20 1.42 -0.26 0.00 -1.04 0.00 0.00 56.93 57.24 1qhv s PHE 480 Cb -0.04 -3.10 -0.09 0.00 -1.21 0.00 0.00 43.02 38.59 1qhv s PHE 480 CO 0.08 -2.05 1.06 0.50 -1.34 0.00 0.00 175.22 173.48 1qhv s ARG 481 N -4.92 4.38 -0.31 1.99 3.52 -1.14 -1.24 118.95 121.23 1qhv s ARG 481 Ca 0.62 1.62 -0.02 0.00 -0.13 0.00 0.00 55.73 57.82 1qhv s ARG 481 Cb -0.17 -2.82 0.12 0.00 -1.56 0.00 0.00 34.95 30.51 1qhv s ARG 481 CO 0.56 0.02 0.19 1.21 -0.81 0.00 0.00 175.30 176.47 1qhv s ASN 482 N -1.29 2.99 1.86 -2.12 3.04 -0.45 -4.35 114.94 114.62 1qhv s ASN 482 Ca 0.52 -1.46 0.00 0.00 0.04 0.00 0.00 52.86 51.96 1qhv s ASN 482 Cb -0.26 -0.18 0.00 0.00 -1.54 0.00 0.00 41.25 39.27 1qhv s ASN 482 CO 0.33 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.61 1qhv n GLY 483 N 4.90 3.18 1.47 1.21 0.00 -1.26 -0.59 105.19 114.10 1qhv n GLY 483 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1qhv n GLY 483 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qhv n ASN 484 N 5.44 4.34 -0.71 1.61 3.02 -1.26 -4.93 115.26 122.78 1qhv n ASN 484 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 1qhv n ASN 484 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1qhv n ASN 484 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qhv n SER 485 N 0.66 1.04 -4.87 6.41 2.88 0.24 -4.28 113.62 115.69 1qhv n SER 485 Ca 0.21 -0.47 -0.28 0.00 -1.33 0.00 0.00 58.87 57.01 1qhv n SER 485 Cb 0.88 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.29 1qhv n SER 485 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qhv s THR 486 N -0.67 5.01 0.40 2.46 -4.23 -1.26 -1.34 115.64 116.01 1qhv s THR 486 Ca 0.00 -0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1qhv s THR 486 Cb 0.00 -3.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 1qhv s THR 486 CO 0.00 -0.00 1.31 0.21 -0.54 0.00 0.00 174.62 175.60 1qhv s ASN 487 N -2.88 6.30 0.59 3.99 3.84 -0.37 -4.50 114.94 121.90 1qhv s ASN 487 Ca 0.33 2.68 0.35 0.00 0.21 0.00 0.00 52.86 56.43 1qhv s ASN 487 Cb -0.11 -2.64 1.84 0.00 -0.55 0.00 0.00 41.25 39.78 1qhv s ASN 487 CO 0.26 -0.86 2.19 0.00 -2.79 0.00 0.00 177.10 175.90 1qhv h ALA 488 N 2.69 1.14 -2.84 1.71 0.00 -1.97 -3.41 119.26 116.59 1qhv h ALA 488 Ca -0.50 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 1qhv h ALA 488 Cb 1.25 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 1qhv h ALA 488 CO 0.63 0.05 -0.51 -0.80 0.00 0.00 0.00 179.25 178.61 1qhv s ASN 489 N -5.69 5.99 0.38 0.00 -0.87 -1.26 -5.06 114.94 108.43 1qhv s ASN 489 Ca -0.03 -0.18 -0.28 0.00 -1.57 0.00 0.00 52.86 50.81 1qhv s ASN 489 Cb 0.12 -2.12 -0.10 0.00 -0.02 0.00 0.00 41.25 39.13 1qhv s ASN 489 CO 0.51 -0.12 1.43 -2.84 -2.57 0.00 0.00 177.10 173.51 1qhv s PRO 490 N 1.74 4.08 0.65 -0.60 0.02 -1.26 -4.92 135.00 134.71 1qhv s PRO 490 Ca 0.07 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.37 1qhv s PRO 490 Cb -0.16 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.43 1qhv s PRO 490 CO 0.10 -0.51 1.15 1.52 -0.33 0.00 0.00 177.00 178.94 1qhv s TYR 491 N -1.15 2.44 -0.11 6.54 -0.85 -1.26 -4.96 117.35 118.01 1qhv s TYR 491 Ca 0.54 1.56 0.08 0.00 -0.52 0.00 0.00 57.07 58.72 1qhv s TYR 491 Cb -0.44 -3.32 -0.11 0.00 0.38 0.00 0.00 41.96 38.47 1qhv s TYR 491 CO 0.59 -2.00 0.21 0.25 -1.52 0.00 0.00 175.55 173.08 1qhv n THR 492 N -2.18 0.00 -3.68 -3.49 -2.24 -1.26 -4.97 114.28 96.46 1qhv n THR 492 Ca 0.12 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1qhv n THR 492 Cb 0.51 0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 1qhv n THR 492 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1qhv s ASN 493 N -2.57 0.46 -0.18 3.42 3.84 -1.26 -4.77 114.94 113.89 1qhv s ASN 493 Ca -0.01 0.44 0.18 0.00 0.21 0.00 0.00 52.86 53.67 1qhv s ASN 493 Cb 0.05 0.42 0.45 0.00 -0.55 0.00 0.00 41.25 41.63 1qhv s ASN 493 CO 0.32 -0.23 1.17 0.00 -2.79 0.00 0.00 177.10 175.57 1qhv n ALA 494 N 5.15 3.27 0.29 1.71 0.00 0.35 -4.87 120.51 126.41 1qhv n ALA 494 Ca -0.09 -2.98 0.14 0.00 0.00 0.00 0.00 53.44 50.52 1qhv n ALA 494 Cb 0.50 -0.60 0.87 0.00 0.00 0.00 0.00 19.45 20.22 1qhv n ALA 494 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qhv h VAL 495 N 4.22 0.59 0.00 0.00 2.07 -1.88 -0.37 116.25 120.88 1qhv h VAL 495 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1qhv h VAL 495 Cb 1.45 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1qhv h VAL 495 CO 0.23 0.01 0.00 1.23 0.02 0.00 0.00 177.57 179.06 1qhv h GLY 496 N 0.09 0.00 -1.35 2.17 0.00 -1.90 -1.33 103.07 100.75 1qhv h GLY 496 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qhv h GLY 496 CO 0.00 0.00 -0.26 0.69 0.00 0.00 0.00 176.54 176.97 1qhv n PHE 497 N -2.61 0.00 -3.06 5.60 3.72 -0.15 -4.63 117.46 116.33 1qhv n PHE 497 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1qhv n PHE 497 Cb 0.18 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 1qhv n PHE 497 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1qhv s MET 498 N -2.20 4.10 0.21 -1.08 -1.94 -0.50 -4.91 119.30 112.98 1qhv s MET 498 Ca 0.22 0.80 -0.31 0.00 -1.71 0.00 0.00 55.69 54.69 1qhv s MET 498 Cb 0.18 -2.47 -0.10 0.00 2.01 0.00 0.00 34.83 34.45 1qhv s MET 498 CO 0.44 0.16 1.55 -2.14 -0.01 0.00 0.00 175.02 175.02 1qhv s PRO 499 N -2.84 4.21 0.09 2.03 0.02 -1.26 -0.28 135.00 136.97 1qhv s PRO 499 Ca 0.54 2.40 -0.31 0.00 0.02 0.00 0.00 61.00 63.65 1qhv s PRO 499 Cb -0.11 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.20 1qhv s PRO 499 CO 0.17 -0.57 1.87 1.21 -0.33 0.00 0.00 177.00 179.35 1qhv s ASN 500 N 0.83 6.44 0.42 2.53 3.84 0.16 -4.46 114.94 124.70 1qhv s ASN 500 Ca 0.66 2.71 0.21 0.00 0.21 0.00 0.00 52.86 56.66 1qhv s ASN 500 Cb -0.44 -2.55 0.93 0.00 -0.55 0.00 0.00 41.25 38.63 1qhv s ASN 500 CO 0.37 -1.02 1.85 -0.07 -2.79 0.00 0.00 177.10 175.45 1qhv h LEU 501 N 9.32 0.00 -0.13 3.21 3.38 -1.91 0.11 115.31 129.28 1qhv h LEU 501 Ca -0.47 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1qhv h LEU 501 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1qhv h LEU 501 CO 0.95 0.28 -0.69 -0.07 0.09 0.00 0.00 178.44 179.00 1qhv h LEU 502 N 0.00 0.84 -0.34 1.67 3.38 -1.98 -2.72 115.31 116.16 1qhv h LEU 502 Ca -0.00 -0.64 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 1qhv h LEU 502 Cb 0.68 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1qhv h LEU 502 CO 0.04 1.34 -0.14 0.00 0.09 0.00 0.00 178.44 179.77 1qhv h ALA 503 N 0.52 0.47 -2.88 1.53 0.00 -1.92 -3.39 119.26 113.59 1qhv h ALA 503 Ca -0.05 -0.33 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 1qhv h ALA 503 Cb 1.32 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1qhv h ALA 503 CO 0.14 0.36 -0.75 0.71 0.00 0.00 0.00 179.25 179.72 1qhv s TYR 504 N -4.67 2.23 0.87 0.00 2.02 0.36 -4.73 117.35 113.43 1qhv s TYR 504 Ca -0.13 -2.67 -0.11 0.00 -0.37 0.00 0.00 57.07 53.79 1qhv s TYR 504 Cb 0.09 -1.90 0.12 0.00 -0.40 0.00 0.00 41.96 39.87 1qhv s TYR 504 CO 0.81 -0.73 1.09 -2.14 -1.57 0.00 0.00 175.55 173.01 1qhv s PRO 505 N -0.22 1.44 -0.01 -1.71 0.02 -1.03 -4.30 135.00 129.19 1qhv s PRO 505 Ca 0.23 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 61.85 1qhv s PRO 505 Cb -0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1qhv s PRO 505 CO -0.09 -2.13 1.14 0.21 -0.33 0.00 0.00 177.00 175.79 1qhv s LYS 506 N -4.92 4.42 0.05 5.54 2.20 -1.26 -0.85 119.74 124.92 1qhv s LYS 506 Ca 0.63 1.63 -0.27 0.00 -0.36 0.00 0.00 55.97 57.60 1qhv s LYS 506 Cb -0.18 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.76 1qhv s LYS 506 CO 0.57 -0.30 0.76 -0.08 -0.36 0.00 0.00 175.35 175.94 1qhv s THR 507 N 1.59 0.00 -2.56 3.43 -1.32 -1.25 -4.84 115.64 110.69 1qhv s THR 507 Ca 0.55 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.26 1qhv s THR 507 Cb -0.25 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.11 1qhv s THR 507 CO 0.25 0.00 1.36 0.00 -2.21 0.00 0.00 174.62 174.02 1qhv n GLN 508 N -0.15 2.45 -3.43 7.08 10.64 -1.26 -2.59 117.38 130.13 1qhv n GLN 508 Ca -0.13 -2.21 -0.33 0.00 -1.83 0.00 0.00 57.00 52.51 1qhv n GLN 508 Cb 0.62 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.45 1qhv n GLN 508 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1qhv s SER 509 N -1.58 6.65 -1.38 2.61 0.01 -1.26 -4.91 113.70 113.84 1qhv s SER 509 Ca 0.36 0.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.42 1qhv s SER 509 Cb 0.22 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 64.32 1qhv s SER 509 CO 0.31 -0.02 2.10 1.67 0.41 0.00 0.00 173.24 177.71 1qhv n GLN 510 N 0.11 3.26 -2.01 12.44 -0.06 -1.26 -4.55 117.38 125.31 1qhv n GLN 510 Ca -0.01 -3.02 -0.42 0.00 -2.00 0.00 0.00 57.00 51.55 1qhv n GLN 510 Cb 0.52 -3.10 -0.03 0.00 -4.06 0.00 0.00 30.24 23.58 1qhv n GLN 510 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1qhv s THR 511 N 1.82 3.19 0.23 1.69 2.01 -1.26 -4.87 115.64 118.44 1qhv s THR 511 Ca 0.45 0.65 -0.08 0.00 0.31 0.00 0.00 61.69 63.02 1qhv s THR 511 Cb 0.12 -3.42 0.19 0.00 0.01 0.00 0.00 72.50 69.40 1qhv s THR 511 CO -0.05 0.00 1.87 0.00 -0.69 0.00 0.00 174.62 175.76 1qhv h ALA 512 N 8.03 1.08 0.00 7.40 0.00 -1.94 -2.04 119.26 131.79 1qhv h ALA 512 Ca -0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1qhv h ALA 512 Cb 1.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qhv h ALA 512 CO 0.92 0.34 -0.08 -0.22 0.00 0.00 0.00 179.25 180.22 1qhv h LYS 513 N 1.02 0.00 0.00 0.00 3.64 -1.94 -1.42 116.57 117.86 1qhv h LYS 513 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1qhv h LYS 513 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1qhv h LYS 513 CO -0.12 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 177.23 1qhv n ASN 514 N -4.02 0.64 -4.63 4.20 4.13 -0.76 -4.78 115.26 110.04 1qhv n ASN 514 Ca -0.03 0.67 -0.27 0.00 1.68 0.00 0.00 54.58 56.63 1qhv n ASN 514 Cb 0.16 -0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 37.52 1qhv n ASN 514 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1qhv s ASN 515 N -4.20 4.59 -0.17 6.41 -0.87 -0.54 -0.42 114.94 119.74 1qhv s ASN 515 Ca 0.04 -0.44 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 1qhv s ASN 515 Cb 0.09 -0.92 0.02 0.00 -0.02 0.00 0.00 41.25 40.42 1qhv s ASN 515 CO 0.37 0.11 -0.18 -0.63 -2.57 0.00 0.00 177.10 174.19 1qhv s ILE 516 N -1.65 1.94 -0.11 0.60 1.01 -0.00 -4.97 121.20 118.02 1qhv s ILE 516 Ca 0.26 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1qhv s ILE 516 Cb -0.09 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1qhv s ILE 516 CO 0.17 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.84 1qhv s VAL 517 N 1.34 1.03 0.03 2.92 1.01 -1.26 -0.64 120.40 124.83 1qhv s VAL 517 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1qhv s VAL 517 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1qhv s VAL 517 CO -0.12 0.36 -0.04 -0.44 0.00 0.00 0.00 175.10 174.86 1qhv s SER 518 N 1.57 0.39 -0.05 3.32 0.01 -0.72 -5.01 113.70 113.22 1qhv s SER 518 Ca 0.02 -0.57 -0.27 0.00 1.31 0.00 0.00 55.95 56.44 1qhv s SER 518 Cb -0.13 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1qhv s SER 518 CO -0.07 -0.32 0.88 -1.58 0.41 0.00 0.00 173.24 172.56 1qhv s GLN 519 N -1.77 4.47 0.40 12.44 0.74 -1.26 -0.62 119.66 134.06 1qhv s GLN 519 Ca -0.12 1.20 0.03 0.00 0.05 0.00 0.00 55.36 56.52 1qhv s GLN 519 Cb -0.08 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1qhv s GLN 519 CO -0.02 -0.08 0.09 0.14 -0.55 0.00 0.00 175.29 174.88 1qhv s VAL 520 N 1.19 0.83 -0.06 1.34 -7.23 -0.13 -4.94 120.40 111.40 1qhv s VAL 520 Ca 0.45 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1qhv s VAL 520 Cb -0.19 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1qhv s VAL 520 CO 0.22 0.00 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.60 1qhv s TYR 521 N -3.18 1.26 0.08 2.82 2.02 -1.26 -0.54 117.35 118.54 1qhv s TYR 521 Ca 0.25 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 56.18 1qhv s TYR 521 Cb 0.04 -0.97 -0.08 0.00 -0.40 0.00 0.00 41.96 40.55 1qhv s TYR 521 CO 0.13 -0.27 1.63 -1.17 -1.57 0.00 0.00 175.55 174.31 1qhv s LEU 522 N 0.81 4.36 -1.90 -1.29 2.96 0.13 -1.98 118.68 121.78 1qhv s LEU 522 Ca -0.12 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 1qhv s LEU 522 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1qhv s LEU 522 CO 0.02 -0.87 0.00 1.41 -1.32 0.00 0.00 176.35 175.59 1qhv n HIS 523 N 5.38 -0.36 -1.54 5.38 8.25 -0.76 -1.31 115.22 130.26 1qhv n HIS 523 Ca 0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.47 1qhv n HIS 523 Cb 0.40 -3.34 -0.05 0.00 1.12 0.00 0.00 29.99 28.12 1qhv n HIS 523 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qhv n GLY 524 N -0.50 1.21 3.58 -1.41 0.00 -0.84 -4.97 105.19 102.27 1qhv n GLY 524 Ca -0.20 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1qhv n GLY 524 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qhv s ASP 525 N -2.78 6.15 0.62 1.61 -1.08 -0.42 -4.94 116.67 115.83 1qhv s ASP 525 Ca 0.00 0.05 0.33 0.00 -0.52 0.00 0.00 52.55 52.41 1qhv s ASP 525 Cb 0.00 -2.17 1.88 0.00 -1.46 0.00 0.00 42.92 41.17 1qhv s ASP 525 CO 0.00 -0.17 2.17 0.07 0.52 0.00 0.00 175.17 177.76 1qhv h LYS 526 N 8.31 0.00 -0.02 4.34 2.10 -1.93 0.12 116.57 129.50 1qhv h LYS 526 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1qhv h LYS 526 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1qhv h LYS 526 CO 0.62 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.32 1qhv n THR 527 N -3.50 0.01 -3.10 0.07 -2.24 -1.26 -4.28 114.28 99.97 1qhv n THR 527 Ca -0.01 -0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1qhv n THR 527 Cb 0.23 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1qhv n THR 527 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qhv n LYS 528 N -0.04 2.31 -2.07 -0.78 5.02 0.03 -5.10 118.16 117.53 1qhv n LYS 528 Ca 0.20 -4.30 -0.35 0.00 -2.02 0.00 0.00 58.31 51.84 1qhv n LYS 528 Cb 0.31 -2.01 0.02 0.00 -0.02 0.00 0.00 35.03 33.33 1qhv n LYS 528 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qhv s PRO 529 N -2.86 3.08 0.16 1.97 0.04 -1.26 -0.69 135.00 135.44 1qhv s PRO 529 Ca 0.44 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1qhv s PRO 529 Cb 0.27 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1qhv s PRO 529 CO -0.10 -1.10 0.04 -1.64 0.04 0.00 0.00 177.00 174.24 1qhv s MET 530 N -3.36 1.06 -0.19 4.56 -1.94 0.30 -4.80 119.30 114.93 1qhv s MET 530 Ca 0.75 -1.52 -0.05 0.00 -1.71 0.00 0.00 55.69 53.17 1qhv s MET 530 Cb -0.28 -0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.53 1qhv s MET 530 CO 0.32 -0.22 -0.01 0.42 -0.01 0.00 0.00 175.02 175.52 1qhv s ILE 531 N -3.87 3.91 -0.25 2.53 -1.09 0.21 -0.96 121.20 121.68 1qhv s ILE 531 Ca 0.26 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 58.21 1qhv s ILE 531 Cb 0.07 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1qhv s ILE 531 CO 0.04 0.44 0.32 -0.22 -1.23 0.00 0.00 174.94 174.29 1qhv s LEU 532 N 0.93 4.07 -0.32 2.97 2.96 0.21 -0.79 118.68 128.70 1qhv s LEU 532 Ca 0.01 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1qhv s LEU 532 Cb -0.14 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 44.25 1qhv s LEU 532 CO 0.02 -0.10 0.04 -0.89 -1.32 0.00 0.00 176.35 174.09 1qhv s THR 533 N 1.70 3.06 -0.15 3.68 2.01 0.23 -1.75 115.64 124.42 1qhv s THR 533 Ca 0.14 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.46 1qhv s THR 533 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1qhv s THR 533 CO 0.09 -0.21 0.50 -0.63 -0.69 0.00 0.00 174.62 173.67 1qhv s ILE 534 N 1.24 5.15 -0.12 1.82 1.01 0.19 -0.94 121.20 129.55 1qhv s ILE 534 Ca -0.03 0.96 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 1qhv s ILE 534 Cb -0.20 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1qhv s ILE 534 CO -0.01 0.26 -0.07 -0.89 0.00 0.00 0.00 174.94 174.23 1qhv s THR 535 N 1.04 3.65 -0.22 2.92 2.01 -0.27 -0.82 115.64 123.95 1qhv s THR 535 Ca 0.25 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1qhv s THR 535 Cb -0.15 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1qhv s THR 535 CO 0.10 0.54 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.79 1qhv s LEU 536 N -0.08 3.05 0.00 4.42 1.43 0.44 -1.01 118.68 126.92 1qhv s LEU 536 Ca 0.01 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1qhv s LEU 536 Cb -0.13 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1qhv s LEU 536 CO 0.03 0.00 0.00 0.59 0.23 0.00 0.00 176.35 177.20 1qhv n ASN 537 N 4.66 0.00 0.00 2.29 3.02 0.57 -4.76 115.26 121.03 1qhv n ASN 537 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1qhv n ASN 537 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1qhv n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhv n GLY 538 N 0.00 2.87 0.00 7.41 0.00 -0.03 -1.18 105.19 114.26 1qhv n GLY 538 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1qhv n GLY 538 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qhv n THR 539 N 0.00 0.49 1.12 2.61 -2.24 -1.07 -2.00 114.28 113.20 1qhv n THR 539 Ca 0.00 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1qhv n THR 539 Cb 0.00 -0.90 0.40 0.00 -2.10 0.00 0.00 70.33 67.73 1qhv n THR 539 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qhv n SER 540 N -1.22 0.51 -4.77 3.42 3.41 -0.32 -4.89 113.62 109.76 1qhv n SER 540 Ca 0.07 -0.31 -0.38 0.00 -0.26 0.00 0.00 58.87 58.00 1qhv n SER 540 Cb 0.10 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1qhv n SER 540 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qhv s GLU 541 N -2.81 4.04 0.06 4.33 0.41 -0.85 -4.71 118.70 119.18 1qhv s GLU 541 Ca 0.17 1.83 -0.20 0.00 -0.41 0.00 0.00 54.97 56.36 1qhv s GLU 541 Cb 0.19 -2.66 -0.06 0.00 -1.78 0.00 0.00 34.13 29.81 1qhv s GLU 541 CO 0.60 -0.32 0.60 -1.54 -0.49 0.00 0.00 175.26 174.10 1qhv s SER 542 N -1.16 7.07 0.00 -0.19 1.04 -1.26 -4.95 113.70 114.25 1qhv s SER 542 Ca 0.57 1.26 0.02 0.00 0.48 0.00 0.00 55.95 58.28 1qhv s SER 542 Cb -0.30 -2.37 0.02 0.00 0.10 0.00 0.00 66.02 63.47 1qhv s SER 542 CO 0.38 0.21 0.71 0.35 0.98 0.00 0.00 173.24 175.88 1qhv n THR 543 N 2.04 0.33 -1.71 2.02 -2.24 -1.26 -1.98 114.28 111.48 1qhv n THR 543 Ca -0.09 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.60 1qhv n THR 543 Cb 0.51 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 1qhv n THR 543 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qhv n GLU 544 N -0.05 2.48 -1.58 -0.78 4.07 -1.26 -4.79 120.64 118.73 1qhv n GLU 544 Ca 0.01 0.89 -0.56 0.00 -0.06 0.00 0.00 57.16 57.44 1qhv n GLU 544 Cb 0.12 -2.64 -0.07 0.00 -0.06 0.00 0.00 31.44 28.79 1qhv n GLU 544 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1qhv n THR 545 N 2.48 0.02 -0.69 6.31 -1.04 -1.26 -0.81 114.28 119.29 1qhv n THR 545 Ca 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1qhv n THR 545 Cb 0.34 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1qhv n THR 545 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1qhv n SER 546 N 2.45 0.00 -2.70 8.00 3.41 -1.26 -4.81 113.62 118.72 1qhv n SER 546 Ca 0.20 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1qhv n SER 546 Cb 0.13 -0.85 0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1qhv n SER 546 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qhv n GLU 547 N -2.00 1.43 -2.76 4.33 -0.58 0.01 -5.07 120.64 116.01 1qhv n GLU 547 Ca 0.00 -3.38 -0.43 0.00 -0.42 0.00 0.00 57.16 52.93 1qhv n GLU 547 Cb 0.00 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 1qhv n GLU 547 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1qhv s VAL 548 N -3.43 4.57 0.52 2.62 1.01 -1.18 -4.33 120.40 120.19 1qhv s VAL 548 Ca 0.28 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 1qhv s VAL 548 Cb 0.42 -4.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1qhv s VAL 548 CO 0.01 -0.49 0.98 -0.94 0.00 0.00 0.00 175.10 174.66 1qhv s SER 549 N 1.78 6.58 -0.22 3.32 1.04 -0.84 -4.93 113.70 120.44 1qhv s SER 549 Ca 0.40 1.54 -0.05 0.00 0.48 0.00 0.00 55.95 58.32 1qhv s SER 549 Cb -0.12 -2.50 -0.19 0.00 0.10 0.00 0.00 66.02 63.31 1qhv s SER 549 CO 0.17 -0.61 -0.03 0.41 0.98 0.00 0.00 173.24 174.16 1qhv n THR 550 N -1.70 1.59 -4.40 2.02 -1.04 0.10 -4.76 114.28 106.08 1qhv n THR 550 Ca 0.06 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 1qhv n THR 550 Cb 0.54 -1.64 -0.10 0.00 -1.82 0.00 0.00 70.33 67.31 1qhv n THR 550 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1qhv s TYR 551 N -2.52 1.94 -0.03 -1.42 2.02 -0.91 -4.96 117.35 111.48 1qhv s TYR 551 Ca -0.31 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.58 1qhv s TYR 551 Cb 0.09 -0.91 0.11 0.00 -0.40 0.00 0.00 41.96 40.84 1qhv s TYR 551 CO 0.63 0.47 0.94 -1.54 -1.57 0.00 0.00 175.55 174.48 1qhv s SER 552 N -3.40 -0.33 -0.08 2.29 1.04 -1.26 -0.73 113.70 111.23 1qhv s SER 552 Ca 0.26 -0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 1qhv s SER 552 Cb -0.01 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1qhv s SER 552 CO 0.10 -0.57 0.33 0.00 0.98 0.00 0.00 173.24 174.09 1qhv s MET 553 N -3.02 0.53 0.09 4.02 0.23 -0.29 -0.32 119.30 120.54 1qhv s MET 553 Ca 0.06 0.17 0.05 0.00 -1.03 0.00 0.00 55.69 54.94 1qhv s MET 553 Cb -0.01 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1qhv s MET 553 CO -0.08 -0.11 -0.14 -1.54 -2.03 0.00 0.00 175.02 171.12 1qhv s SER 554 N -0.52 1.74 -0.22 -1.18 1.04 -0.18 -0.11 113.70 114.27 1qhv s SER 554 Ca -0.06 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1qhv s SER 554 Cb -0.04 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.09 1qhv s SER 554 CO 0.02 -0.12 -0.10 -0.36 0.98 0.00 0.00 173.24 173.67 1qhv s PHE 555 N -1.65 2.69 -0.18 5.02 0.40 0.78 -1.11 117.98 123.93 1qhv s PHE 555 Ca 0.02 -1.86 0.01 0.00 -0.60 0.00 0.00 56.93 54.50 1qhv s PHE 555 Cb -0.08 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.75 1qhv s PHE 555 CO 0.02 -0.80 -0.16 0.99 0.70 0.00 0.00 175.22 175.98 1qhv s THR 556 N 1.30 1.85 -0.20 0.64 2.01 -0.12 -0.80 115.64 120.32 1qhv s THR 556 Ca -0.04 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 1qhv s THR 556 Cb -0.18 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1qhv s THR 556 CO -0.07 0.40 0.17 0.26 -0.69 0.00 0.00 174.62 174.69 1qhv s TRP 557 N 1.35 3.40 0.10 4.92 0.51 -0.11 -0.60 118.94 128.52 1qhv s TRP 557 Ca 0.03 0.36 0.05 0.00 -2.12 0.00 0.00 56.10 54.41 1qhv s TRP 557 Cb -0.14 -2.22 -0.03 0.00 -0.81 0.00 0.00 33.47 30.26 1qhv s TRP 557 CO -0.11 0.23 -0.12 -1.54 -0.51 0.00 0.00 176.95 174.90 1qhv s SER 558 N 0.54 1.64 0.34 2.95 1.04 0.03 -1.16 113.70 119.08 1qhv s SER 558 Ca 0.10 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 1qhv s SER 558 Cb -0.12 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1qhv s SER 558 CO 0.00 -0.19 0.55 -1.66 0.98 0.00 0.00 173.24 172.93 1qhv s TRP 559 N -2.08 0.74 0.18 5.02 -2.14 -0.83 -0.62 118.94 119.21 1qhv s TRP 559 Ca 0.04 -1.10 -0.31 0.00 2.66 0.00 0.00 56.10 57.40 1qhv s TRP 559 Cb -0.05 0.18 -0.10 0.00 -3.10 0.00 0.00 33.47 30.40 1qhv s TRP 559 CO 0.01 -1.23 1.53 -1.21 -2.66 0.00 0.00 176.95 173.39 1qhv s GLU 560 N -2.99 4.23 0.31 3.25 2.02 -1.26 -4.75 118.70 119.51 1qhv s GLU 560 Ca 0.26 2.33 -0.29 0.00 0.02 0.00 0.00 54.97 57.29 1qhv s GLU 560 Cb -0.02 -3.15 -0.13 0.00 0.10 0.00 0.00 34.13 30.94 1qhv s GLU 560 CO 0.17 -0.55 1.31 -1.13 0.02 0.00 0.00 175.26 175.07 1qhv n SER 561 N 3.57 2.68 0.00 -0.19 3.41 -1.26 -2.22 113.62 119.61 1qhv n SER 561 Ca 0.12 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 1qhv n SER 561 Cb 0.39 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1qhv n SER 561 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qhv n GLY 562 N 1.20 1.69 3.94 5.00 0.00 -1.26 -5.04 105.19 110.72 1qhv n GLY 562 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1qhv n GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhv s LYS 563 N -0.55 3.49 -1.72 1.61 1.02 -0.94 -4.57 119.74 118.08 1qhv s LYS 563 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1qhv s LYS 563 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1qhv s LYS 563 CO 0.00 0.21 0.00 0.66 -0.92 0.00 0.00 175.35 175.30 1qhv n TYR 564 N -1.59 -0.24 0.21 3.18 4.01 -1.26 -4.90 117.16 116.56 1qhv n TYR 564 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 1qhv n TYR 564 Cb 0.56 -3.10 0.49 0.00 -0.31 0.00 0.00 39.34 36.98 1qhv n TYR 564 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1qhv h THR 565 N 0.00 1.13 -0.28 -0.72 1.35 -1.95 -1.52 112.91 110.92 1qhv h THR 565 Ca -0.37 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1qhv h THR 565 Cb 1.17 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1qhv h THR 565 CO 0.50 0.18 0.00 0.35 -0.25 0.00 0.00 175.52 176.30 1qhv n THR 566 N -4.33 0.35 -2.85 6.82 -2.24 -1.26 -1.26 114.28 109.50 1qhv n THR 566 Ca -0.02 -0.64 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 1qhv n THR 566 Cb 0.24 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 1qhv n THR 566 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qhv s GLU 567 N -1.65 4.00 0.02 -0.78 0.41 -0.57 -4.77 118.70 115.36 1qhv s GLU 567 Ca 0.36 0.79 -0.24 0.00 -0.41 0.00 0.00 54.97 55.47 1qhv s GLU 567 Cb 0.22 -2.30 -0.05 0.00 -1.78 0.00 0.00 34.13 30.21 1qhv s GLU 567 CO 0.31 -0.01 0.72 0.99 -0.49 0.00 0.00 175.26 176.77 1qhv s THR 568 N -2.24 4.81 -0.23 3.63 2.01 -1.26 -0.28 115.64 122.08 1qhv s THR 568 Ca 0.56 1.52 -0.29 0.00 0.31 0.00 0.00 61.69 63.80 1qhv s THR 568 Cb -0.10 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1qhv s THR 568 CO 0.22 0.36 1.33 0.12 -0.69 0.00 0.00 174.62 175.96 1qhv s PHE 569 N 0.03 2.66 -0.21 4.92 5.36 -1.26 -4.89 117.98 124.58 1qhv s PHE 569 Ca 0.37 0.87 -0.07 0.00 -0.96 0.00 0.00 56.93 57.14 1qhv s PHE 569 Cb -0.20 -3.76 0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1qhv s PHE 569 CO 0.21 -1.91 0.44 0.00 -1.46 0.00 0.00 175.22 172.50 1qhv s ALA 570 N 4.12 -1.25 0.14 11.12 0.00 -1.26 -0.60 121.76 134.02 1qhv s ALA 570 Ca 0.58 1.53 0.03 0.00 0.00 0.00 0.00 51.96 54.10 1qhv s ALA 570 Cb -0.20 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1qhv s ALA 570 CO 0.21 -0.83 0.21 0.95 0.00 0.00 0.00 175.76 176.29 1qhv s THR 571 N 2.64 4.98 0.54 0.00 -4.23 -0.47 -1.84 115.64 117.25 1qhv s THR 571 Ca -0.00 -0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1qhv s THR 571 Cb -0.12 -3.53 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 1qhv s THR 571 CO -0.14 -0.06 1.03 0.20 -0.54 0.00 0.00 174.62 175.12 1qhv s ASN 572 N -3.05 6.16 0.34 3.99 0.02 -1.26 -4.44 114.94 116.71 1qhv s ASN 572 Ca 0.33 1.80 -0.29 0.00 -1.02 0.00 0.00 52.86 53.68 1qhv s ASN 572 Cb -0.11 -2.54 -0.12 0.00 0.02 0.00 0.00 41.25 38.51 1qhv s ASN 572 CO 0.26 -0.90 1.49 -1.20 0.02 0.00 0.00 177.10 176.77 1qhv n SER 573 N -1.55 3.61 -3.89 -1.22 7.64 -1.26 -4.72 113.62 112.23 1qhv n SER 573 Ca 0.08 1.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.98 1qhv n SER 573 Cb 0.53 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 61.99 1qhv n SER 573 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qhv s TYR 574 N -0.71 0.61 -0.12 1.43 5.04 -0.59 -4.96 117.35 118.04 1qhv s TYR 574 Ca 0.58 -0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 55.02 1qhv s TYR 574 Cb -0.50 -0.54 -0.04 0.00 0.35 0.00 0.00 41.96 41.23 1qhv s TYR 574 CO 0.58 -0.14 0.08 0.99 -1.34 0.00 0.00 175.55 175.72 1qhv s THR 575 N 0.70 4.97 0.24 4.34 2.01 -1.26 -1.25 115.64 125.39 1qhv s THR 575 Ca -0.09 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 1qhv s THR 575 Cb -0.12 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1qhv s THR 575 CO -0.00 0.59 0.50 0.72 -0.69 0.00 0.00 174.62 175.74 1qhv s PHE 576 N -0.73 0.25 0.12 4.92 -0.71 -0.53 -5.02 117.98 116.28 1qhv s PHE 576 Ca 0.12 -0.62 -0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1qhv s PHE 576 Cb -0.12 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1qhv s PHE 576 CO 0.03 -1.00 0.02 -1.54 -1.34 0.00 0.00 175.22 171.38 1qhv s SER 577 N -2.99 0.55 0.10 1.98 1.04 -1.26 -0.45 113.70 112.67 1qhv s SER 577 Ca 0.20 -1.14 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 1qhv s SER 577 Cb -0.01 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1qhv s SER 577 CO 0.07 -0.66 0.38 -0.72 0.98 0.00 0.00 173.24 173.30 1qhv s TYR 578 N -3.93 -0.19 0.13 5.02 -0.85 -0.79 -4.98 117.35 111.76 1qhv s TYR 578 Ca 0.20 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.38 1qhv s TYR 578 Cb 0.07 0.22 -0.07 0.00 0.38 0.00 0.00 41.96 42.56 1qhv s TYR 578 CO -0.01 -0.65 1.23 0.42 -1.52 0.00 0.00 175.55 175.02 1qhv s ILE 579 N -3.44 3.68 0.38 -3.49 1.01 -1.26 -0.97 121.20 117.11 1qhv s ILE 579 Ca 0.01 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.86 1qhv s ILE 579 Cb 0.01 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 1qhv s ILE 579 CO -0.09 0.15 0.73 0.00 0.00 0.00 0.00 174.94 175.73 1qhv s ALA 580 N 0.54 3.39 0.28 9.38 0.00 0.77 -0.66 121.76 135.45 1qhv s ALA 580 Ca 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1qhv s ALA 580 Cb -0.32 -2.64 0.39 0.00 0.00 0.00 0.00 23.12 20.55 1qhv s ALA 580 CO 0.33 0.04 1.76 0.37 0.00 0.00 0.00 175.76 178.27 1qhv h GLN 581 N 1.36 0.67 0.00 0.00 5.75 -0.80 -3.38 115.11 118.71 1qhv h GLN 581 Ca -0.47 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 1qhv h GLN 581 Cb 1.19 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1qhv h GLN 581 CO 0.64 0.74 0.00 -0.85 -2.65 0.00 0.00 178.83 176.71