#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk9 n PHE 400 N 0.00 1.80 0.65 4.31 3.01 -1.26 -4.33 117.46 121.64 1xk9 n PHE 400 Ca 0.00 -0.89 0.10 0.00 1.01 0.00 0.00 57.45 57.67 1xk9 n PHE 400 Cb 0.00 -0.54 0.27 0.00 -0.01 0.00 0.00 39.48 39.21 1xk9 n PHE 400 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1xk9 n LEU 401 N 0.02 2.62 0.00 4.37 4.77 -1.26 -4.70 117.00 122.83 1xk9 n LEU 401 Ca 0.29 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1xk9 n LEU 401 Cb 1.10 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1xk9 n LEU 401 CO 0.32 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1xk9 n GLY 402 N 1.32 -0.01 3.46 -0.72 0.00 -1.26 -4.77 105.19 103.21 1xk9 n GLY 402 Ca 0.18 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1xk9 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xk9 s ASP 403 N -4.00 3.09 0.00 1.61 1.11 -1.26 -5.05 116.67 112.17 1xk9 s ASP 403 Ca 0.00 -1.16 0.00 0.00 0.18 0.00 0.00 52.55 51.57 1xk9 s ASP 403 Cb 0.00 -0.23 0.00 0.00 1.07 0.00 0.00 42.92 43.76 1xk9 s ASP 403 CO 0.00 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 176.71 1xk9 n GLY 404 N -0.63 0.98 0.00 0.21 0.00 -1.26 -4.91 105.19 99.58 1xk9 n GLY 404 Ca -0.05 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1xk9 n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xk9 n GLY 405 N 0.00 -0.39 3.72 -0.02 0.00 -1.26 -4.98 105.19 102.25 1xk9 n GLY 405 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1xk9 n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xk9 s ASP 406 N -1.00 6.40 -0.11 1.61 -0.00 -1.26 -4.91 116.67 117.40 1xk9 s ASP 406 Ca 0.00 2.84 -0.22 0.00 -0.00 0.00 0.00 52.55 55.18 1xk9 s ASP 406 Cb 0.00 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.29 1xk9 s ASP 406 CO 0.00 -0.96 0.64 -0.69 -0.00 0.00 0.00 175.17 174.16 1xk9 s VAL 407 N 1.16 5.07 -0.02 -1.27 1.01 -1.26 -4.43 120.40 120.66 1xk9 s VAL 407 Ca 0.74 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 1xk9 s VAL 407 Cb -0.49 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1xk9 s VAL 407 CO 0.32 0.23 0.04 -0.55 0.00 0.00 0.00 175.10 175.15 1xk9 s SER 408 N 0.85 0.02 0.28 3.32 0.15 -1.10 -4.97 113.70 112.26 1xk9 s SER 408 Ca 0.33 0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.83 1xk9 s SER 408 Cb -0.17 -0.00 -0.09 0.00 -1.71 0.00 0.00 66.02 64.05 1xk9 s SER 408 CO 0.14 -0.10 0.84 -0.36 1.20 0.00 0.00 173.24 174.96 1xk9 s PHE 409 N 0.82 3.67 -0.00 3.44 0.08 -1.26 0.35 117.98 125.07 1xk9 s PHE 409 Ca -0.07 1.60 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 1xk9 s PHE 409 Cb -0.09 -2.78 0.10 0.00 -0.57 0.00 0.00 43.02 39.68 1xk9 s PHE 409 CO -0.03 0.27 0.86 -1.54 -0.10 0.00 0.00 175.22 174.69 1xk9 s SER 410 N -1.63 -0.39 0.61 1.36 1.04 -1.25 -4.91 113.70 108.53 1xk9 s SER 410 Ca 0.47 0.05 0.36 0.00 0.48 0.00 0.00 55.95 57.31 1xk9 s SER 410 Cb -0.18 0.40 1.99 0.00 0.10 0.00 0.00 66.02 68.34 1xk9 s SER 410 CO 0.22 -0.63 2.25 0.71 0.98 0.00 0.00 173.24 176.78 1xk9 h THR 411 N 2.08 0.26 -0.00 2.02 1.35 -1.92 -1.06 112.91 115.63 1xk9 h THR 411 Ca -0.23 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1xk9 h THR 411 Cb 1.24 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1xk9 h THR 411 CO 0.32 0.02 -0.07 0.54 -0.25 0.00 0.00 175.52 176.08 1xk9 n ARG 412 N -3.41 0.63 0.00 4.72 5.12 -1.26 -4.39 116.66 118.08 1xk9 n ARG 412 Ca -0.02 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1xk9 n ARG 412 Cb 0.12 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1xk9 n ARG 412 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xk9 n GLY 413 N 1.26 3.36 3.63 -0.13 0.00 -0.40 -4.99 105.19 107.92 1xk9 n GLY 413 Ca 0.15 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1xk9 n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xk9 s THR 414 N -2.57 3.51 0.22 2.61 2.01 -1.26 -3.81 115.64 116.35 1xk9 s THR 414 Ca 0.00 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1xk9 s THR 414 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1xk9 s THR 414 CO 0.00 -0.20 1.35 -1.10 -0.69 0.00 0.00 174.62 173.98 1xk9 s GLN 415 N 4.82 4.35 -1.60 4.92 -1.52 0.15 -3.13 119.66 127.65 1xk9 s GLN 415 Ca 0.77 2.15 -0.02 0.00 -1.95 0.00 0.00 55.36 56.31 1xk9 s GLN 415 Cb -0.29 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1xk9 s GLN 415 CO 0.31 -0.30 0.32 0.09 -0.25 0.00 0.00 175.29 175.46 1xk9 n ASN 416 N 2.41 -5.86 -3.96 5.90 3.02 -1.26 -2.70 115.26 112.80 1xk9 n ASN 416 Ca 0.06 -0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.16 1xk9 n ASN 416 Cb 0.42 -4.77 -0.16 0.00 -0.61 0.00 0.00 39.78 34.65 1xk9 n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1xk9 s TRP 417 N -3.09 2.00 0.24 3.10 -0.11 -1.19 -4.67 118.94 115.23 1xk9 s TRP 417 Ca 0.16 -1.20 0.08 0.00 1.22 0.00 0.00 56.10 56.36 1xk9 s TRP 417 Cb -0.07 -1.48 -0.05 0.00 -1.50 0.00 0.00 33.47 30.37 1xk9 s TRP 417 CO 0.19 -0.65 -0.13 0.95 -4.62 0.00 0.00 176.95 172.69 1xk9 s THR 418 N 1.54 1.85 0.54 5.86 -4.23 -1.26 -4.92 115.64 115.02 1xk9 s THR 418 Ca 0.02 -2.23 0.20 0.00 -1.18 0.00 0.00 61.69 58.51 1xk9 s THR 418 Cb -0.14 -2.19 0.30 0.00 1.34 0.00 0.00 72.50 71.81 1xk9 s THR 418 CO -0.09 -0.49 2.17 1.62 -0.54 0.00 0.00 174.62 177.29 1xk9 h VAL 419 N 2.44 0.85 -0.38 2.29 3.04 -1.97 -1.23 116.25 121.29 1xk9 h VAL 419 Ca -0.39 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.16 1xk9 h VAL 419 Cb 1.23 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1xk9 h VAL 419 CO 0.63 0.00 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.52 1xk9 h GLU 420 N 0.00 0.88 -0.20 4.17 3.07 -1.99 -1.81 114.58 118.70 1xk9 h GLU 420 Ca 0.01 -0.43 -0.14 0.00 -0.50 0.00 0.00 59.36 58.30 1xk9 h GLU 420 Cb 0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1xk9 h GLU 420 CO -0.00 1.07 -0.46 -0.09 -1.40 0.00 0.00 179.01 178.13 1xk9 h ARG 421 N 0.73 0.50 -0.39 2.33 2.43 -1.62 -2.56 114.38 115.80 1xk9 h ARG 421 Ca 0.07 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1xk9 h ARG 421 Cb 0.90 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1xk9 h ARG 421 CO 0.08 0.86 0.23 1.25 -1.51 0.00 0.00 179.97 180.89 1xk9 h LEU 422 N 0.40 0.38 -1.27 3.80 6.46 -1.11 -0.98 115.31 123.01 1xk9 h LEU 422 Ca 0.03 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1xk9 h LEU 422 Cb 0.96 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.76 1xk9 h LEU 422 CO 0.09 0.28 0.52 -0.07 -0.62 0.00 0.00 178.44 178.63 1xk9 h LEU 423 N 0.48 0.80 -0.16 2.25 3.38 -1.02 0.44 115.31 121.47 1xk9 h LEU 423 Ca 0.15 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1xk9 h LEU 423 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xk9 h LEU 423 CO -0.07 0.54 -0.07 -0.61 0.09 0.00 0.00 178.44 178.32 1xk9 h GLN 424 N 0.92 0.33 -0.75 1.13 4.15 -1.03 -1.86 115.11 118.01 1xk9 h GLN 424 Ca 0.33 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.62 1xk9 h GLN 424 Cb 0.13 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1xk9 h GLN 424 CO -0.11 0.64 0.49 0.00 -1.93 0.00 0.00 178.83 177.92 1xk9 h ALA 425 N 0.69 0.96 -0.32 3.38 0.00 -0.30 -1.34 119.26 122.33 1xk9 h ALA 425 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xk9 h ALA 425 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xk9 h ALA 425 CO 0.02 0.33 0.12 1.25 0.00 0.00 0.00 179.25 180.97 1xk9 h HIS 426 N 0.98 0.49 -0.83 0.00 -0.00 -0.12 -1.21 115.15 114.46 1xk9 h HIS 426 Ca 0.28 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1xk9 h HIS 426 Cb -0.07 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.15 1xk9 h HIS 426 CO -0.03 0.48 0.39 -0.09 -0.00 0.00 0.00 177.93 178.68 1xk9 h ARG 427 N 0.37 1.21 -0.35 5.26 2.43 -1.02 -1.43 114.38 120.84 1xk9 h ARG 427 Ca 0.11 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1xk9 h ARG 427 Cb 0.20 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1xk9 h ARG 427 CO -0.01 0.93 0.16 1.96 -1.51 0.00 0.00 179.97 181.51 1xk9 h GLN 428 N 1.19 0.52 -0.13 0.20 4.20 -1.01 -1.37 115.11 118.70 1xk9 h GLN 428 Ca 0.28 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1xk9 h GLN 428 Cb 0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1xk9 h GLN 428 CO -0.03 0.48 0.06 -0.07 -0.67 0.00 0.00 178.83 178.59 1xk9 h LEU 429 N 0.43 0.08 -0.73 1.46 3.38 -0.92 -1.18 115.31 117.83 1xk9 h LEU 429 Ca 0.12 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xk9 h LEU 429 Cb 0.14 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1xk9 h LEU 429 CO -0.01 0.07 0.45 -0.33 0.09 0.00 0.00 178.44 178.70 1xk9 h GLU 430 N 0.13 0.82 -0.09 1.13 5.08 -1.17 0.08 114.58 120.56 1xk9 h GLU 430 Ca 0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xk9 h GLU 430 Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1xk9 h GLU 430 CO -0.05 0.55 -0.06 0.93 -1.00 0.00 0.00 179.01 179.38 1xk9 h GLU 431 N 0.85 0.12 -0.12 2.33 5.08 -0.83 -1.01 114.58 121.00 1xk9 h GLU 431 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1xk9 h GLU 431 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xk9 h GLU 431 CO -0.14 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.61 1xk9 n ARG 432 N -4.40 1.43 -0.55 2.33 1.74 -0.27 -4.89 116.66 112.05 1xk9 n ARG 432 Ca -0.02 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 1xk9 n ARG 432 Cb 0.18 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1xk9 n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xk9 n GLY 433 N 0.94 0.68 3.93 -0.13 0.00 -0.38 -4.97 105.19 105.25 1xk9 n GLY 433 Ca 0.13 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1xk9 n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xk9 s TYR 434 N -2.00 3.50 -0.01 1.61 1.51 -0.15 0.04 117.35 121.86 1xk9 s TYR 434 Ca 0.00 0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1xk9 s TYR 434 Cb 0.00 -1.75 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1xk9 s TYR 434 CO 0.00 0.54 -0.05 0.54 -1.11 0.00 0.00 175.55 175.47 1xk9 s VAL 435 N -1.63 0.43 0.14 0.71 0.11 -0.30 -3.68 120.40 116.19 1xk9 s VAL 435 Ca 0.35 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 1xk9 s VAL 435 Cb -0.12 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.27 1xk9 s VAL 435 CO 0.28 0.13 1.40 0.12 -3.33 0.00 0.00 175.10 173.70 1xk9 s PHE 436 N -0.07 3.21 0.00 1.54 5.36 -1.26 -1.62 117.98 125.14 1xk9 s PHE 436 Ca 0.01 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1xk9 s PHE 436 Cb -0.03 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 1xk9 s PHE 436 CO -0.00 -2.46 0.43 1.33 -1.46 0.00 0.00 175.22 173.06 1xk9 n VAL 437 N 3.62 0.00 0.00 3.12 0.24 -0.17 -4.27 118.33 120.87 1xk9 n VAL 437 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1xk9 n VAL 437 Cb 0.42 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1xk9 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xk9 n GLY 438 N 0.01 1.81 3.92 7.63 0.00 -1.24 -4.51 105.19 112.82 1xk9 n GLY 438 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1xk9 n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xk9 s TYR 439 N -1.65 3.50 -0.07 1.61 2.02 0.50 -0.65 117.35 122.60 1xk9 s TYR 439 Ca 0.00 0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1xk9 s TYR 439 Cb 0.00 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1xk9 s TYR 439 CO 0.00 0.52 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.89 1xk9 s HIS 440 N -1.63 0.89 -0.14 2.71 5.65 0.17 -0.47 115.29 122.48 1xk9 s HIS 440 Ca 0.36 -0.31 -0.07 0.00 0.25 0.00 0.00 55.06 55.29 1xk9 s HIS 440 Cb -0.12 -0.87 -0.04 0.00 -1.18 0.00 0.00 32.58 30.36 1xk9 s HIS 440 CO 0.28 -0.34 0.11 0.20 -0.65 0.00 0.00 174.74 174.33 1xk9 s GLY 441 N 1.64 2.05 0.32 1.59 0.00 -1.21 0.13 107.32 111.85 1xk9 s GLY 441 Ca 0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.93 1xk9 s GLY 441 CO -0.04 -0.25 0.63 -0.37 0.00 0.00 0.00 173.10 173.06 1xk9 n THR 442 N 2.52 0.00 -2.27 0.90 5.66 -0.94 -4.21 114.28 115.94 1xk9 n THR 442 Ca -0.19 -0.92 -0.31 0.00 -3.05 0.00 0.00 64.05 59.59 1xk9 n THR 442 Cb 0.54 0.84 -0.01 0.00 -1.55 0.00 0.00 70.33 70.15 1xk9 n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xk9 s PHE 443 N -3.31 3.55 0.19 1.09 -0.71 -1.26 -1.82 117.98 115.70 1xk9 s PHE 443 Ca 0.15 1.23 -0.25 0.00 -1.04 0.00 0.00 56.93 57.01 1xk9 s PHE 443 Cb -0.04 -2.63 0.06 0.00 -1.21 0.00 0.00 43.02 39.19 1xk9 s PHE 443 CO 0.11 -0.46 1.55 -0.07 -1.34 0.00 0.00 175.22 175.01 1xk9 h LEU 444 N 0.31 -1.81 -1.63 -1.99 3.38 -1.86 -1.25 115.31 110.46 1xk9 h LEU 444 Ca -0.46 0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xk9 h LEU 444 Cb 1.19 0.84 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1xk9 h LEU 444 CO 0.62 -0.27 0.09 -0.33 0.09 0.00 0.00 178.44 178.64 1xk9 h GLU 445 N -0.04 0.33 0.00 1.13 3.07 -1.94 -0.62 114.58 116.50 1xk9 h GLU 445 Ca 0.23 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 1xk9 h GLU 445 Cb 0.50 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1xk9 h GLU 445 CO -0.91 0.28 -0.62 0.00 -1.40 0.00 0.00 179.01 176.36 1xk9 h ALA 446 N 1.77 0.83 -0.04 3.43 0.00 -1.65 -1.64 119.26 121.96 1xk9 h ALA 446 Ca 0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1xk9 h ALA 446 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xk9 h ALA 446 CO -0.01 0.78 -0.02 0.00 0.00 0.00 0.00 179.25 180.00 1xk9 h ALA 447 N 1.38 0.06 -0.10 0.00 0.00 -0.26 -0.82 119.26 119.52 1xk9 h ALA 447 Ca -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1xk9 h ALA 447 Cb 1.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1xk9 h ALA 447 CO 0.08 -0.20 -0.22 0.37 0.00 0.00 0.00 179.25 179.28 1xk9 h GLN 448 N -0.31 -0.28 -0.37 0.00 5.75 -1.07 0.03 115.11 118.86 1xk9 h GLN 448 Ca 0.01 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1xk9 h GLN 448 Cb 0.46 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 1xk9 h GLN 448 CO 0.01 -0.19 0.13 1.03 -2.65 0.00 0.00 178.83 177.15 1xk9 h SER 449 N -0.29 0.13 -0.26 -0.69 0.87 -1.29 -1.55 113.55 110.47 1xk9 h SER 449 Ca 0.09 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1xk9 h SER 449 Cb 0.42 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1xk9 h SER 449 CO -0.27 0.11 0.13 0.40 -0.53 0.00 0.00 176.83 176.67 1xk9 h ILE 450 N 0.28 1.14 -0.11 2.23 2.04 -0.76 0.35 117.51 122.68 1xk9 h ILE 450 Ca 0.17 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1xk9 h ILE 450 Cb 0.14 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xk9 h ILE 450 CO -0.17 0.13 -0.04 0.58 0.00 0.00 0.00 178.15 178.65 1xk9 h VAL 451 N 0.29 1.30 0.00 1.67 2.07 -0.84 -1.32 116.25 119.43 1xk9 h VAL 451 Ca 0.09 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1xk9 h VAL 451 Cb 0.10 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1xk9 h VAL 451 CO -0.01 0.29 -1.52 0.49 0.02 0.00 0.00 177.57 176.84 1xk9 n PHE 452 N -4.73 0.67 -0.09 1.57 3.01 -0.60 -4.39 117.46 112.89 1xk9 n PHE 452 Ca -0.06 0.21 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 1xk9 n PHE 452 Cb 0.26 -0.92 -0.14 0.00 -0.01 0.00 0.00 39.48 38.67 1xk9 n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xk9 n GLY 453 N 1.34 -0.90 0.00 1.37 0.00 0.12 -5.07 105.19 102.05 1xk9 n GLY 453 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1xk9 n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xk9 n GLY 454 N 1.88 2.04 3.76 -0.02 0.00 -0.50 -4.98 105.19 107.38 1xk9 n GLY 454 Ca -0.30 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 1xk9 n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xk9 s VAL 455 N -2.58 3.11 -0.16 1.61 1.01 -1.25 -4.28 120.40 117.85 1xk9 s VAL 455 Ca 0.00 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 1xk9 s VAL 455 Cb 0.00 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1xk9 s VAL 455 CO 0.00 0.26 0.29 -0.13 0.00 0.00 0.00 175.10 175.52 1xk9 s ARG 456 N -1.59 0.20 0.74 2.72 0.52 -1.26 -4.47 118.95 115.81 1xk9 s ARG 456 Ca 0.47 0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 56.21 1xk9 s ARG 456 Cb -0.36 -0.24 0.05 0.00 0.52 0.00 0.00 34.95 34.92 1xk9 s ARG 456 CO 0.47 -0.39 1.17 0.00 0.02 0.00 0.00 175.30 176.57 1xk9 s ALA 457 N 2.44 2.12 0.00 2.13 0.00 -1.26 -4.98 121.76 122.21 1xk9 s ALA 457 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1xk9 s ALA 457 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1xk9 s ALA 457 CO -0.10 -1.85 0.00 0.54 0.00 0.00 0.00 175.76 174.34 1xk9 n ARG 458 N -2.93 0.00 -1.76 0.00 5.12 -1.26 -5.16 116.66 110.67 1xk9 n ARG 458 Ca 0.12 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1xk9 n ARG 458 Cb 0.51 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1xk9 n ARG 458 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1xk9 n SER 459 N -2.93 -0.25 -1.24 0.55 3.41 -1.26 -5.11 113.62 106.79 1xk9 n SER 459 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1xk9 n SER 459 Cb 0.44 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1xk9 n SER 459 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xk9 n GLN 460 N -0.10 0.00 -0.06 4.33 -0.06 -1.26 -5.07 117.38 115.16 1xk9 n GLN 460 Ca -0.00 0.41 -0.05 0.00 -2.00 0.00 0.00 57.00 55.36 1xk9 n GLN 460 Cb 0.08 -0.94 -0.12 0.00 -4.06 0.00 0.00 30.24 25.20 1xk9 n GLN 460 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1xk9 n ASP 461 N -0.12 1.28 -4.60 1.69 8.00 -1.26 -4.73 116.55 116.82 1xk9 n ASP 461 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1xk9 n ASP 461 Cb 0.00 1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 42.09 1xk9 n ASP 461 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1xk9 s LEU 462 N -4.94 3.51 0.00 0.64 0.05 -1.26 -4.62 118.68 112.05 1xk9 s LEU 462 Ca -0.07 1.29 0.00 0.00 0.05 0.00 0.00 54.13 55.40 1xk9 s LEU 462 Cb 0.05 -3.50 0.00 0.00 -2.05 0.00 0.00 46.19 40.69 1xk9 s LEU 462 CO 0.63 -1.71 0.00 -0.67 -0.55 0.00 0.00 176.35 174.05 1xk9 n ASP 463 N 10.28 0.00 -3.72 1.48 -0.08 -1.26 -4.77 116.55 118.48 1xk9 n ASP 463 Ca 0.23 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.26 1xk9 n ASP 463 Cb 0.47 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.98 1xk9 n ASP 463 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xk9 n ALA 464 N 10.32 -1.50 -0.35 -1.67 0.00 -1.26 -4.80 120.51 121.26 1xk9 n ALA 464 Ca 0.00 0.18 0.15 0.00 0.00 0.00 0.00 53.44 53.76 1xk9 n ALA 464 Cb 0.00 -4.17 0.36 0.00 0.00 0.00 0.00 19.45 15.63 1xk9 n ALA 464 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xk9 h ILE 465 N -2.24 0.65 -0.44 0.00 1.08 -1.90 0.56 117.51 115.23 1xk9 h ILE 465 Ca -0.58 -0.24 -0.14 0.00 -0.39 0.00 0.00 64.86 63.51 1xk9 h ILE 465 Cb 1.37 -0.09 -0.09 0.00 -3.07 0.00 0.00 36.82 34.94 1xk9 h ILE 465 CO 0.60 0.13 0.18 0.79 -0.69 0.00 0.00 178.15 179.15 1xk9 n TRP 466 N -4.78 1.45 -2.09 1.37 7.02 -1.26 -3.72 117.44 115.43 1xk9 n TRP 466 Ca 0.24 -0.83 -0.40 0.00 -1.02 0.00 0.00 57.50 55.50 1xk9 n TRP 466 Cb 0.64 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 29.03 1xk9 n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1xk9 s ARG 467 N -1.93 4.16 0.00 -0.99 1.70 0.20 -4.89 118.95 117.20 1xk9 s ARG 467 Ca 0.32 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 57.75 1xk9 s ARG 467 Cb 0.25 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 1xk9 s ARG 467 CO 0.08 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 1xk9 n GLY 468 N 0.72 -0.96 3.41 3.88 0.00 -1.26 -4.45 105.19 106.53 1xk9 n GLY 468 Ca 0.02 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1xk9 n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xk9 s PHE 469 N -3.00 3.19 -0.17 1.61 5.36 0.11 -4.90 117.98 120.18 1xk9 s PHE 469 Ca 0.00 -0.75 -0.20 0.00 -0.96 0.00 0.00 56.93 55.02 1xk9 s PHE 469 Cb 0.00 -2.36 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1xk9 s PHE 469 CO 0.00 -0.53 0.60 0.71 -1.46 0.00 0.00 175.22 174.55 1xk9 s TYR 470 N 1.58 3.42 0.37 10.12 1.51 -1.26 -0.81 117.35 132.27 1xk9 s TYR 470 Ca 0.03 0.95 0.05 0.00 -1.01 0.00 0.00 57.07 57.09 1xk9 s TYR 470 Cb -0.18 -2.75 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 1xk9 s TYR 470 CO 0.06 -0.08 0.17 0.96 -1.11 0.00 0.00 175.55 175.55 1xk9 s ILE 471 N 1.55 0.38 -0.18 2.71 -4.36 0.28 -4.74 121.20 116.84 1xk9 s ILE 471 Ca 0.29 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.54 1xk9 s ILE 471 Cb -0.16 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.18 1xk9 s ILE 471 CO 0.11 0.00 0.46 0.00 0.24 0.00 0.00 174.94 175.75 1xk9 s ALA 472 N -3.36 -1.16 0.30 2.27 0.00 0.38 -0.70 121.76 119.50 1xk9 s ALA 472 Ca 0.31 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 1xk9 s ALA 472 Cb 0.03 -0.87 0.46 0.00 0.00 0.00 0.00 23.12 22.75 1xk9 s ALA 472 CO 0.19 -0.25 1.96 0.78 0.00 0.00 0.00 175.76 178.44 1xk9 h GLY 473 N 6.14 1.09 -6.83 0.00 0.00 -1.79 0.14 103.07 101.82 1xk9 h GLY 473 Ca -0.31 -0.43 -0.62 0.00 0.00 0.00 0.00 47.33 45.96 1xk9 h GLY 473 CO 0.24 0.42 0.28 -0.35 0.00 0.00 0.00 176.54 177.13 1xk9 s ASP 474 N -6.36 6.47 0.66 0.19 -1.08 -1.26 -4.68 116.67 110.60 1xk9 s ASP 474 Ca -0.11 0.15 0.38 0.00 -0.52 0.00 0.00 52.55 52.45 1xk9 s ASP 474 Cb 0.17 -2.37 2.09 0.00 -1.46 0.00 0.00 42.92 41.36 1xk9 s ASP 474 CO 0.79 -0.73 2.20 1.55 0.52 0.00 0.00 175.17 179.50 1xk9 h PRO 475 N 8.60 0.00 -0.10 4.34 0.13 -1.96 -1.86 132.00 141.15 1xk9 h PRO 475 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 1xk9 h PRO 475 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1xk9 h PRO 475 CO 0.90 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 178.33 1xk9 h ALA 476 N 1.76 1.24 0.01 -0.56 0.00 -1.93 0.33 119.26 120.10 1xk9 h ALA 476 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xk9 h ALA 476 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xk9 h ALA 476 CO -0.00 0.52 -0.00 1.25 0.00 0.00 0.00 179.25 181.02 1xk9 h LEU 477 N 0.18 -0.01 -1.55 0.00 5.85 -1.72 -3.23 115.31 114.82 1xk9 h LEU 477 Ca 0.02 -0.68 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 1xk9 h LEU 477 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1xk9 h LEU 477 CO 0.05 0.68 0.01 0.00 -0.34 0.00 0.00 178.44 178.84 1xk9 h ALA 478 N 0.27 1.64 -0.85 1.25 0.00 -1.55 -2.69 119.26 117.32 1xk9 h ALA 478 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xk9 h ALA 478 Cb 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1xk9 h ALA 478 CO 0.00 0.27 0.56 -0.92 0.00 0.00 0.00 179.25 179.16 1xk9 h TYR 479 N 0.29 1.08 -0.07 0.00 5.03 -0.97 -1.48 116.97 120.85 1xk9 h TYR 479 Ca 0.07 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.42 1xk9 h TYR 479 Cb 0.19 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 38.10 1xk9 h TYR 479 CO 0.00 0.69 0.18 0.78 -1.32 0.00 0.00 178.16 178.50 1xk9 h GLY 480 N 1.16 0.00 -0.44 1.82 0.00 -1.50 -0.13 103.07 103.99 1xk9 h GLY 480 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1xk9 h GLY 480 CO -0.07 0.00 -0.63 -1.72 0.00 0.00 0.00 176.54 174.12 1xk9 n TYR 481 N -3.28 0.00 -1.88 5.60 4.01 -0.57 -4.74 117.16 116.30 1xk9 n TYR 481 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1xk9 n TYR 481 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1xk9 n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xk9 n ALA 482 N -0.66 5.26 -3.62 -0.72 0.00 -0.06 -3.45 120.51 117.27 1xk9 n ALA 482 Ca 0.08 -3.90 -0.03 0.00 0.00 0.00 0.00 53.44 49.59 1xk9 n ALA 482 Cb 0.40 -3.52 -0.01 0.00 0.00 0.00 0.00 19.45 16.32 1xk9 n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1xk9 s GLN 483 N 3.18 0.56 0.64 0.00 -2.07 -1.22 0.46 119.66 121.21 1xk9 s GLN 483 Ca 0.48 -0.27 -0.18 0.00 -1.82 0.00 0.00 55.36 53.57 1xk9 s GLN 483 Cb 0.12 0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 1xk9 s GLN 483 CO -0.06 -0.25 1.27 -0.51 -1.32 0.00 0.00 175.29 174.41 1xk9 s ASP 484 N -2.63 4.74 0.08 12.60 1.01 -0.45 -4.20 116.67 127.81 1xk9 s ASP 484 Ca 0.11 2.55 0.15 0.00 0.71 0.00 0.00 52.55 56.07 1xk9 s ASP 484 Cb 0.01 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.20 1xk9 s ASP 484 CO -0.04 -1.91 0.91 1.56 0.21 0.00 0.00 175.17 175.90 1xk9 h GLN 485 N 0.59 0.00 -3.92 8.23 1.08 -1.94 -3.46 115.11 115.69 1xk9 h GLN 485 Ca -0.51 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.55 1xk9 h GLN 485 Cb 1.32 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.57 1xk9 h GLN 485 CO 0.53 0.40 -0.61 -1.83 -0.95 0.00 0.00 178.83 176.38 1xk9 s GLU 486 N -2.86 0.49 0.91 1.46 -1.05 -1.26 -5.17 118.70 111.22 1xk9 s GLU 486 Ca -0.02 -0.76 -0.13 0.00 -0.15 0.00 0.00 54.97 53.91 1xk9 s GLU 486 Cb 0.08 0.18 0.14 0.00 -0.44 0.00 0.00 34.13 34.09 1xk9 s GLU 486 CO 0.81 -0.10 1.15 -1.25 0.95 0.00 0.00 175.26 176.81 1xk9 s PRO 487 N -2.37 1.18 0.21 -4.83 0.04 -1.26 -4.81 135.00 123.16 1xk9 s PRO 487 Ca -0.07 0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 1xk9 s PRO 487 Cb -0.03 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1xk9 s PRO 487 CO -0.04 -2.16 0.29 -0.40 0.04 0.00 0.00 177.00 174.73 1xk9 n ASP 488 N -3.73 0.37 0.31 6.66 5.68 -0.93 -4.87 116.55 120.04 1xk9 n ASP 488 Ca 0.07 -1.32 0.19 0.00 -0.50 0.00 0.00 54.79 53.23 1xk9 n ASP 488 Cb 0.59 -0.19 1.02 0.00 -1.14 0.00 0.00 41.12 41.41 1xk9 n ASP 488 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xk9 h ALA 489 N -0.57 1.30 -0.68 2.12 0.00 -1.98 -1.07 119.26 118.38 1xk9 h ALA 489 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xk9 h ALA 489 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xk9 h ALA 489 CO 0.10 -0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.76 1xk9 n ARG 490 N -3.28 3.10 -0.99 0.00 1.74 -1.26 -4.96 116.66 111.03 1xk9 n ARG 490 Ca -0.02 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 1xk9 n ARG 490 Cb 0.19 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1xk9 n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xk9 n GLY 491 N 1.37 0.49 3.74 -0.13 0.00 -0.41 -5.03 105.19 105.22 1xk9 n GLY 491 Ca 0.24 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1xk9 n GLY 491 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xk9 s ARG 492 N -0.34 4.40 -0.26 1.61 3.52 -1.26 -4.74 118.95 121.88 1xk9 s ARG 492 Ca 0.00 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 1xk9 s ARG 492 Cb 0.00 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 30.06 1xk9 s ARG 492 CO 0.00 0.21 -0.08 0.42 -0.81 0.00 0.00 175.30 175.03 1xk9 s ILE 493 N 0.33 2.04 0.43 4.11 1.01 -1.26 -2.20 121.20 125.67 1xk9 s ILE 493 Ca 0.34 -1.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.22 1xk9 s ILE 493 Cb -0.18 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 1xk9 s ILE 493 CO 0.18 -0.10 0.88 -0.13 0.00 0.00 0.00 174.94 175.76 1xk9 s ARG 494 N 1.14 3.97 0.51 2.79 0.52 -1.26 -4.86 118.95 121.76 1xk9 s ARG 494 Ca -0.06 0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 55.76 1xk9 s ARG 494 Cb -0.20 -2.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.94 1xk9 s ARG 494 CO -0.06 -0.08 1.04 0.54 0.02 0.00 0.00 175.30 176.76 1xk9 s ASN 495 N -2.78 6.23 0.00 0.23 4.22 -1.26 -1.34 114.94 120.24 1xk9 s ASN 495 Ca 0.57 1.88 0.00 0.00 -2.14 0.00 0.00 52.86 53.16 1xk9 s ASN 495 Cb -0.10 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.88 1xk9 s ASN 495 CO 0.25 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 175.06 1xk9 n GLY 496 N -0.50 2.25 3.21 0.45 0.00 0.17 -4.56 105.19 106.21 1xk9 n GLY 496 Ca 0.09 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1xk9 n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xk9 s ALA 497 N -2.79 -0.44 -0.14 4.61 0.00 -0.76 -4.60 121.76 117.64 1xk9 s ALA 497 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 1xk9 s ALA 497 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1xk9 s ALA 497 CO 0.00 -0.40 0.13 -0.51 0.00 0.00 0.00 175.76 174.97 1xk9 s LEU 498 N -2.22 4.27 0.18 0.00 1.43 -1.26 -2.22 118.68 118.86 1xk9 s LEU 498 Ca -0.03 0.38 0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1xk9 s LEU 498 Cb -0.00 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1xk9 s LEU 498 CO -0.05 0.34 -0.23 -0.76 0.23 0.00 0.00 176.35 175.88 1xk9 s LEU 499 N -0.63 2.41 -0.21 1.79 1.02 0.12 -1.26 118.68 121.92 1xk9 s LEU 499 Ca 0.13 -0.84 -0.07 0.00 0.02 0.00 0.00 54.13 53.36 1xk9 s LEU 499 Cb -0.12 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.95 1xk9 s LEU 499 CO 0.02 0.10 0.06 -0.13 0.02 0.00 0.00 176.35 176.42 1xk9 s ARG 500 N -2.58 3.79 -0.21 1.70 0.52 0.13 -0.65 118.95 121.65 1xk9 s ARG 500 Ca 0.18 -0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 54.88 1xk9 s ARG 500 Cb -0.08 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1xk9 s ARG 500 CO 0.09 0.05 0.11 0.08 0.02 0.00 0.00 175.30 175.65 1xk9 s VAL 501 N 0.96 5.09 0.07 3.52 1.01 0.17 -1.44 120.40 129.77 1xk9 s VAL 501 Ca 0.03 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1xk9 s VAL 501 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1xk9 s VAL 501 CO 0.03 0.42 -0.25 -0.31 0.00 0.00 0.00 175.10 174.99 1xk9 s TYR 502 N 0.62 2.16 0.06 5.22 1.51 -0.20 -1.00 117.35 125.71 1xk9 s TYR 502 Ca 0.06 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1xk9 s TYR 502 Cb -0.12 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1xk9 s TYR 502 CO 0.01 0.17 -0.11 0.14 -1.11 0.00 0.00 175.55 174.64 1xk9 s VAL 503 N -0.88 0.86 0.49 0.71 -7.23 -0.64 -1.19 120.40 112.52 1xk9 s VAL 503 Ca 0.11 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.81 1xk9 s VAL 503 Cb -0.10 -0.89 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1xk9 s VAL 503 CO 0.03 -0.31 1.37 -2.65 -0.31 0.00 0.00 175.10 173.23 1xk9 n PRO 504 N 1.32 1.95 0.27 4.82 -0.02 -1.26 -1.15 135.00 140.93 1xk9 n PRO 504 Ca -0.22 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1xk9 n PRO 504 Cb 0.54 -2.57 0.74 0.00 -0.02 0.00 0.00 33.50 32.19 1xk9 n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xk9 h ARG 505 N 1.87 0.00 0.00 -0.52 3.08 -0.72 -0.88 114.38 117.21 1xk9 h ARG 505 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1xk9 h ARG 505 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1xk9 h ARG 505 CO 0.59 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.37 1xk9 n SER 506 N -4.25 0.00 0.03 7.04 3.41 -1.26 -1.71 113.62 116.88 1xk9 n SER 506 Ca -0.03 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 1xk9 n SER 506 Cb 0.10 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1xk9 n SER 506 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xk9 n SER 507 N -1.50 0.63 0.02 4.04 7.64 -0.33 -4.40 113.62 119.72 1xk9 n SER 507 Ca 0.02 -0.22 0.21 0.00 1.01 0.00 0.00 58.87 59.89 1xk9 n SER 507 Cb 0.11 0.69 0.72 0.00 -1.01 0.00 0.00 64.21 64.72 1xk9 n SER 507 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xk9 h LEU 508 N 0.00 0.00 -2.13 -3.43 3.38 -1.43 -1.73 115.31 109.97 1xk9 h LEU 508 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xk9 h LEU 508 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xk9 h LEU 508 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 178.44 177.88 1xk9 h PRO 509 N 0.00 0.00 -0.08 1.13 0.11 -1.80 -2.05 132.00 129.31 1xk9 h PRO 509 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1xk9 h PRO 509 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xk9 h PRO 509 CO -0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 1xk9 n GLY 510 N -0.92 0.10 3.66 -0.55 0.00 -0.65 -4.87 105.19 101.96 1xk9 n GLY 510 Ca -0.02 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1xk9 n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xk9 s PHE 511 N -1.91 3.38 0.15 1.61 0.40 -0.77 -0.55 117.98 120.27 1xk9 s PHE 511 Ca 0.36 0.98 0.07 0.00 -0.60 0.00 0.00 56.93 57.74 1xk9 s PHE 511 Cb 0.20 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 1xk9 s PHE 511 CO 0.31 -0.20 -0.16 0.71 0.70 0.00 0.00 175.22 176.58 1xk9 s TYR 512 N 1.99 1.62 0.02 0.36 1.51 0.48 -2.27 117.35 121.07 1xk9 s TYR 512 Ca 0.30 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1xk9 s TYR 512 Cb -0.16 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1xk9 s TYR 512 CO 0.10 0.25 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.76 1xk9 s ARG 513 N -2.85 0.39 0.06 -0.62 1.70 0.78 -0.23 118.95 118.19 1xk9 s ARG 513 Ca 0.14 -0.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1xk9 s ARG 513 Cb -0.05 -0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.08 1xk9 s ARG 513 CO 0.05 0.04 -0.05 -0.08 -1.08 0.00 0.00 175.30 174.18 1xk9 s THR 514 N -0.85 0.44 -0.77 4.99 -1.32 -0.11 -4.28 115.64 113.75 1xk9 s THR 514 Ca -0.06 -1.59 0.24 0.00 -1.21 0.00 0.00 61.69 59.08 1xk9 s THR 514 Cb -0.06 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 1xk9 s THR 514 CO -0.00 -0.76 1.34 -1.54 -2.21 0.00 0.00 174.62 171.45 1xk9 n SER 515 N 0.53 0.60 -4.73 8.08 3.41 -1.26 -4.29 113.62 115.96 1xk9 n SER 515 Ca -0.16 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 1xk9 n SER 515 Cb 0.59 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 1xk9 n SER 515 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xk9 s LEU 516 N -3.75 4.41 0.06 1.04 0.20 -1.26 -4.65 118.68 114.73 1xk9 s LEU 516 Ca 0.08 2.21 -0.31 0.00 0.69 0.00 0.00 54.13 56.80 1xk9 s LEU 516 Cb 0.15 -3.60 -0.08 0.00 -0.43 0.00 0.00 46.19 42.23 1xk9 s LEU 516 CO 0.72 -0.47 1.62 0.42 -0.29 0.00 0.00 176.35 178.35 1xk9 s THR 517 N 0.48 3.11 0.55 3.68 -4.23 -1.26 -4.15 115.64 113.82 1xk9 s THR 517 Ca 0.57 0.56 0.24 0.00 -1.18 0.00 0.00 61.69 61.88 1xk9 s THR 517 Cb -0.33 -3.36 0.33 0.00 1.34 0.00 0.00 72.50 70.48 1xk9 s THR 517 CO 0.34 -0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.47 1xk9 h LEU 518 N 8.47 0.00 -0.24 4.79 3.38 -1.79 -0.25 115.31 129.68 1xk9 h LEU 518 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xk9 h LEU 518 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xk9 h LEU 518 CO 0.93 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.46 1xk9 n ALA 519 N -2.46 1.99 -1.76 1.53 0.00 -1.26 -4.73 120.51 113.82 1xk9 n ALA 519 Ca 0.01 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1xk9 n ALA 519 Cb 0.25 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.31 1xk9 n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xk9 s ALA 520 N -3.14 3.10 0.25 0.00 0.00 -0.11 -4.91 121.76 116.95 1xk9 s ALA 520 Ca 0.08 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.39 1xk9 s ALA 520 Cb 0.12 -3.57 0.37 0.00 0.00 0.00 0.00 23.12 20.04 1xk9 s ALA 520 CO 0.47 -1.20 1.87 -1.00 0.00 0.00 0.00 175.76 175.90 1xk9 h PRO 521 N 2.07 1.05 -0.11 0.00 0.13 -1.88 -2.02 132.00 131.23 1xk9 h PRO 521 Ca -0.51 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1xk9 h PRO 521 Cb 1.27 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xk9 h PRO 521 CO 0.60 0.69 0.00 -0.85 -0.23 0.00 0.00 178.00 178.21 1xk9 n GLU 522 N -4.56 1.55 -0.26 0.86 0.00 -1.26 -4.10 120.64 112.87 1xk9 n GLU 522 Ca 0.14 -0.82 -0.06 0.00 0.00 0.00 0.00 57.16 56.42 1xk9 n GLU 522 Cb 0.18 -1.38 0.05 0.00 0.00 0.00 0.00 31.44 30.29 1xk9 n GLU 522 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xk9 h ALA 523 N 3.98 0.93 -0.54 -1.84 0.00 -1.64 -2.59 119.26 117.56 1xk9 h ALA 523 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xk9 h ALA 523 Cb 0.37 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1xk9 h ALA 523 CO 0.00 0.46 0.19 0.00 0.00 0.00 0.00 179.25 179.90 1xk9 h ALA 524 N 1.19 0.66 -0.69 0.00 0.00 -1.75 0.16 119.26 118.82 1xk9 h ALA 524 Ca 0.25 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1xk9 h ALA 524 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xk9 h ALA 524 CO -0.04 -0.22 0.20 0.78 0.00 0.00 0.00 179.25 179.98 1xk9 h GLY 525 N 0.36 1.16 1.30 0.00 0.00 -1.78 -0.98 103.07 103.12 1xk9 h GLY 525 Ca 0.26 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 1xk9 h GLY 525 CO -0.28 0.64 -0.47 -2.09 0.00 0.00 0.00 176.54 174.34 1xk9 h GLU 526 N 1.03 0.75 -0.23 4.80 4.57 -0.98 -2.55 114.58 121.98 1xk9 h GLU 526 Ca 0.22 -0.43 -0.15 0.00 -1.18 0.00 0.00 59.36 57.82 1xk9 h GLU 526 Cb 0.31 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1xk9 h GLU 526 CO -0.01 1.06 -0.47 0.28 -1.18 0.00 0.00 179.01 178.70 1xk9 h VAL 527 N 0.60 1.30 -0.45 0.32 2.07 -0.55 -1.47 116.25 118.07 1xk9 h VAL 527 Ca 0.03 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 1xk9 h VAL 527 Cb 1.04 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1xk9 h VAL 527 CO 0.10 0.53 -0.07 -0.33 0.02 0.00 0.00 177.57 177.82 1xk9 h GLU 528 N 0.49 0.78 -0.33 1.57 5.08 -1.14 0.22 114.58 121.24 1xk9 h GLU 528 Ca 0.03 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1xk9 h GLU 528 Cb 1.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1xk9 h GLU 528 CO 0.09 0.84 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.77 1xk9 h ARG 529 N 0.72 0.64 -0.30 2.33 2.43 -1.29 0.42 114.38 119.33 1xk9 h ARG 529 Ca 0.13 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1xk9 h ARG 529 Cb 0.54 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1xk9 h ARG 529 CO 0.03 0.81 0.13 1.25 -1.51 0.00 0.00 179.97 180.68 1xk9 h LEU 530 N 0.42 0.40 0.00 3.80 5.85 -0.89 -3.09 115.31 121.81 1xk9 h LEU 530 Ca 0.08 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1xk9 h LEU 530 Cb 0.57 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1xk9 h LEU 530 CO 0.03 0.43 -0.12 0.40 -0.34 0.00 0.00 178.44 178.84 1xk9 h ILE 531 N 0.34 0.00 0.00 4.05 1.08 -0.54 -3.48 117.51 118.96 1xk9 h ILE 531 Ca 0.10 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1xk9 h ILE 531 Cb 0.15 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1xk9 h ILE 531 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 1xk9 n GLY 532 N 1.29 0.41 3.61 5.37 0.00 0.09 -5.03 105.19 110.94 1xk9 n GLY 532 Ca 0.05 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 1xk9 n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xk9 s HIS 533 N -2.00 -0.15 0.48 1.61 -3.43 -0.92 -5.04 115.29 105.84 1xk9 s HIS 533 Ca 0.00 0.03 -0.21 0.00 -0.80 0.00 0.00 55.06 54.08 1xk9 s HIS 533 Cb 0.00 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.62 1xk9 s HIS 533 CO 0.00 -0.40 1.09 -2.14 -2.00 0.00 0.00 174.74 171.29 1xk9 s PRO 534 N -2.72 3.72 0.93 -0.38 0.02 -1.26 -4.47 135.00 130.84 1xk9 s PRO 534 Ca 0.10 1.53 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 1xk9 s PRO 534 Cb 0.01 -2.20 0.15 0.00 0.02 0.00 0.00 34.50 32.48 1xk9 s PRO 534 CO -0.04 -0.53 1.10 -0.51 -0.33 0.00 0.00 177.00 176.69 1xk9 s LEU 535 N -3.36 2.30 1.03 -5.54 1.43 -1.26 -4.72 118.68 108.56 1xk9 s LEU 535 Ca 0.67 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1xk9 s LEU 535 Cb -0.22 -4.14 0.20 0.00 0.03 0.00 0.00 46.19 42.07 1xk9 s LEU 535 CO 0.26 -3.00 1.08 -2.16 0.23 0.00 0.00 176.35 172.75 1xk9 s PRO 536 N -4.74 0.20 0.56 1.29 0.04 -1.24 -5.05 135.00 126.05 1xk9 s PRO 536 Ca 0.65 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1xk9 s PRO 536 Cb -0.21 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1xk9 s PRO 536 CO 0.59 -2.93 1.19 -0.51 0.04 0.00 0.00 177.00 175.38 1xk9 s LEU 537 N -6.63 3.75 0.00 -3.56 1.43 -1.26 -5.02 118.68 107.39 1xk9 s LEU 537 Ca 0.66 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 1xk9 s LEU 537 Cb -0.20 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1xk9 s LEU 537 CO 0.59 -1.39 0.00 0.54 0.23 0.00 0.00 176.35 176.33 1xk9 n ARG 538 N -1.31 0.00 -1.84 1.70 1.74 -1.26 -4.29 116.66 111.40 1xk9 n ARG 538 Ca 0.12 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.82 1xk9 n ARG 538 Cb 0.49 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 1xk9 n ARG 538 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1xk9 n LEU 539 N 0.00 7.95 -3.91 0.55 0.00 -1.26 -3.45 117.00 116.88 1xk9 n LEU 539 Ca 0.00 -4.72 -0.10 0.00 0.00 0.00 0.00 56.01 51.19 1xk9 n LEU 539 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 43.42 42.03 1xk9 n LEU 539 CO 0.00 2.03 0.37 1.51 0.00 0.00 0.00 177.39 181.30 1xk9 s ASP 540 N 0.63 0.12 0.09 1.96 3.84 -1.26 -4.65 116.67 117.40 1xk9 s ASP 540 Ca 0.57 -1.06 -0.12 0.00 -0.00 0.00 0.00 52.55 51.94 1xk9 s ASP 540 Cb 0.21 0.74 0.01 0.00 -1.38 0.00 0.00 42.92 42.50 1xk9 s ASP 540 CO -0.10 -1.44 0.28 0.00 -0.00 0.00 0.00 175.17 173.91 1xk9 s ALA 541 N -3.12 -0.53 -0.02 2.11 0.00 0.28 -0.79 121.76 119.69 1xk9 s ALA 541 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1xk9 s ALA 541 Cb -0.04 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1xk9 s ALA 541 CO 0.12 -0.54 -0.04 -1.50 0.00 0.00 0.00 175.76 173.80 1xk9 s ILE 542 N -3.65 0.39 -0.07 0.00 1.10 -0.95 -0.39 121.20 117.63 1xk9 s ILE 542 Ca 0.03 -0.15 0.04 0.00 -0.51 0.00 0.00 60.65 60.06 1xk9 s ILE 542 Cb 0.03 -0.37 -0.02 0.00 0.15 0.00 0.00 42.46 42.25 1xk9 s ILE 542 CO -0.10 0.14 -0.18 -0.89 -2.11 0.00 0.00 174.94 171.80 1xk9 s THR 543 N 0.26 2.71 0.05 4.00 2.01 0.68 -1.46 115.64 123.90 1xk9 s THR 543 Ca -0.03 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.87 1xk9 s THR 543 Cb -0.06 -2.06 0.09 0.00 0.01 0.00 0.00 72.50 70.48 1xk9 s THR 543 CO -0.00 0.57 0.83 -0.83 -0.69 0.00 0.00 174.62 174.49 1xk9 s GLY 544 N -0.29 -0.47 0.37 4.40 0.00 -0.82 -0.93 107.32 109.59 1xk9 s GLY 544 Ca 0.01 0.78 -0.27 0.00 0.00 0.00 0.00 44.72 45.25 1xk9 s GLY 544 CO 0.03 0.25 1.19 -1.05 0.00 0.00 0.00 173.10 173.52 1xk9 n PRO 545 N -0.30 1.80 -0.92 2.90 -0.02 -1.26 -1.18 135.00 136.02 1xk9 n PRO 545 Ca -0.10 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 1xk9 n PRO 545 Cb 0.62 -2.21 0.16 0.00 -0.02 0.00 0.00 33.50 32.05 1xk9 n PRO 545 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1xk9 s GLU 546 N -1.95 0.93 0.26 -0.52 -1.05 0.19 -2.61 118.70 113.94 1xk9 s GLU 546 Ca 0.59 1.12 -0.06 0.00 -0.15 0.00 0.00 54.97 56.47 1xk9 s GLU 546 Cb -0.57 -1.75 0.48 0.00 -0.44 0.00 0.00 34.13 31.85 1xk9 s GLU 546 CO 0.60 -2.55 1.62 1.49 0.95 0.00 0.00 175.26 177.36 1xk9 h GLU 547 N -1.79 0.08 -2.52 -4.83 4.81 -1.93 -3.41 114.58 104.99 1xk9 h GLU 547 Ca -0.49 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1xk9 h GLU 547 Cb 1.28 -0.02 -0.26 0.00 0.63 0.00 0.00 28.75 30.38 1xk9 h GLU 547 CO 0.49 0.05 -0.30 -1.83 -0.73 0.00 0.00 179.01 176.69 1xk9 s GLU 548 N -6.11 0.39 0.00 1.92 -1.05 -1.26 -4.91 118.70 107.67 1xk9 s GLU 548 Ca -0.13 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 55.63 1xk9 s GLU 548 Cb 0.23 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1xk9 s GLU 548 CO 0.76 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.18 1xk9 n GLY 549 N 4.80 1.18 2.04 -3.83 0.00 -1.26 -4.89 105.19 103.22 1xk9 n GLY 549 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xk9 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xk9 n GLY 550 N 0.00 2.47 3.76 -0.02 0.00 -1.26 -5.03 105.19 105.11 1xk9 n GLY 550 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xk9 n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xk9 s ARG 551 N -0.42 4.59 -0.08 1.61 3.00 -1.26 -4.72 118.95 121.67 1xk9 s ARG 551 Ca 0.00 1.87 -0.28 0.00 0.00 0.00 0.00 55.73 57.32 1xk9 s ARG 551 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 34.95 31.77 1xk9 s ARG 551 CO 0.00 0.14 0.94 -0.51 0.00 0.00 0.00 175.30 175.87 1xk9 s LEU 552 N -1.52 4.28 0.00 2.53 1.43 -1.26 -0.64 118.68 123.50 1xk9 s LEU 552 Ca 0.45 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1xk9 s LEU 552 Cb -0.33 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1xk9 s LEU 552 CO 0.43 -0.35 -0.05 -1.83 0.23 0.00 0.00 176.35 174.78 1xk9 s GLU 553 N 1.60 2.60 -0.10 1.70 -1.05 -0.33 -4.17 118.70 118.96 1xk9 s GLU 553 Ca 0.47 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.62 1xk9 s GLU 553 Cb -0.19 -2.54 -0.01 0.00 -0.44 0.00 0.00 34.13 30.95 1xk9 s GLU 553 CO 0.20 0.61 -0.17 0.99 0.95 0.00 0.00 175.26 177.84 1xk9 s THR 554 N -1.01 2.71 -0.17 1.83 2.01 0.12 -1.95 115.64 119.19 1xk9 s THR 554 Ca 0.17 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 1xk9 s THR 554 Cb -0.11 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 1xk9 s THR 554 CO 0.08 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.79 1xk9 s ILE 555 N 0.05 2.72 -0.25 1.82 1.01 -0.54 -0.56 121.20 125.45 1xk9 s ILE 555 Ca -0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1xk9 s ILE 555 Cb -0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1xk9 s ILE 555 CO 0.05 0.50 0.15 -0.76 0.00 0.00 0.00 174.94 174.88 1xk9 s LEU 556 N 0.99 4.02 0.40 2.97 1.43 0.01 -2.25 118.68 126.25 1xk9 s LEU 556 Ca -0.02 0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1xk9 s LEU 556 Cb -0.15 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 1xk9 s LEU 556 CO -0.02 0.04 1.28 0.61 0.23 0.00 0.00 176.35 178.48 1xk9 n GLY 557 N 4.46 0.56 0.33 -3.19 0.00 0.03 -0.71 105.19 106.66 1xk9 n GLY 557 Ca -0.15 0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1xk9 n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xk9 h TRP 558 N 2.20 0.81 -0.70 1.61 4.06 -1.75 0.28 115.95 122.47 1xk9 h TRP 558 Ca -0.47 0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.61 1xk9 h TRP 558 Cb 1.29 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 29.20 1xk9 h TRP 558 CO 0.49 -0.05 0.46 -1.35 -3.56 0.00 0.00 178.44 174.43 1xk9 h PRO 559 N 0.43 0.58 0.01 0.49 0.11 -1.85 0.24 132.00 132.02 1xk9 h PRO 559 Ca 0.62 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.66 1xk9 h PRO 559 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xk9 h PRO 559 CO -0.54 0.38 -0.14 1.25 -0.21 0.00 0.00 178.00 178.75 1xk9 h LEU 560 N 0.60 0.11 -0.96 2.35 6.46 -0.57 -3.30 115.31 119.99 1xk9 h LEU 560 Ca 0.32 -0.85 0.16 0.00 -0.12 0.00 0.00 57.88 57.39 1xk9 h LEU 560 Cb 0.45 -0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.25 1xk9 h LEU 560 CO -0.11 0.94 0.57 0.00 -0.62 0.00 0.00 178.44 179.23 1xk9 h ALA 561 N 0.17 1.53 0.00 1.25 0.00 -0.50 0.29 119.26 122.00 1xk9 h ALA 561 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xk9 h ALA 561 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xk9 h ALA 561 CO 0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1xk9 n GLU 562 N -4.76 0.15 0.00 0.00 1.02 0.03 -1.65 120.64 115.42 1xk9 n GLU 562 Ca 0.21 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.62 1xk9 n GLU 562 Cb 0.49 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.46 1xk9 n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xk9 n ARG 563 N -1.36 1.78 -1.82 3.49 1.74 0.10 -4.76 116.66 115.83 1xk9 n ARG 563 Ca 0.06 -1.47 -0.30 0.00 -0.77 0.00 0.00 57.85 55.37 1xk9 n ARG 563 Cb 0.15 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1xk9 n ARG 563 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xk9 s THR 564 N -2.10 3.71 -0.14 0.55 -4.23 -0.66 -4.53 115.64 108.23 1xk9 s THR 564 Ca 0.23 0.55 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1xk9 s THR 564 Cb 0.18 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1xk9 s THR 564 CO 0.40 -0.73 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.86 1xk9 s VAL 565 N -3.28 1.93 -0.05 2.29 1.01 -0.33 -4.73 120.40 117.23 1xk9 s VAL 565 Ca 0.58 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1xk9 s VAL 565 Cb -0.12 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1xk9 s VAL 565 CO 0.53 0.52 -0.25 -0.69 0.00 0.00 0.00 175.10 175.21 1xk9 s VAL 566 N 0.98 2.09 0.22 2.92 1.01 -1.26 -1.04 120.40 125.33 1xk9 s VAL 566 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1xk9 s VAL 566 Cb -0.15 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1xk9 s VAL 566 CO -0.05 0.57 -0.05 0.27 0.00 0.00 0.00 175.10 175.84 1xk9 s ILE 567 N -0.23 1.29 0.66 2.22 -4.36 -0.52 -4.43 121.20 115.83 1xk9 s ILE 567 Ca -0.02 -2.08 -0.16 0.00 -0.26 0.00 0.00 60.65 58.14 1xk9 s ILE 567 Cb -0.13 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1xk9 s ILE 567 CO 0.03 -0.43 1.15 -2.84 0.24 0.00 0.00 174.94 173.09 1xk9 s PRO 568 N -3.78 2.65 0.37 0.37 0.02 -1.26 0.17 135.00 133.53 1xk9 s PRO 568 Ca 0.26 1.57 0.01 0.00 0.02 0.00 0.00 61.00 62.86 1xk9 s PRO 568 Cb 0.04 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1xk9 s PRO 568 CO 0.08 -1.40 0.57 0.45 -0.33 0.00 0.00 177.00 176.37 1xk9 s SER 569 N -2.23 6.18 0.00 2.53 0.15 -0.39 -4.48 113.70 115.47 1xk9 s SER 569 Ca 0.71 0.39 0.26 0.00 0.70 0.00 0.00 55.95 58.01 1xk9 s SER 569 Cb -0.25 -1.89 0.68 0.00 -1.71 0.00 0.00 66.02 62.85 1xk9 s SER 569 CO 0.40 -0.39 1.54 0.00 1.20 0.00 0.00 173.24 175.99 1xk9 n ALA 570 N -1.84 2.57 -2.60 5.45 0.00 -1.26 -4.79 120.51 118.04 1xk9 n ALA 570 Ca -0.03 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1xk9 n ALA 570 Cb 0.57 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1xk9 n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xk9 s ILE 571 N -2.03 4.55 0.38 0.00 1.01 -1.26 -4.76 121.20 119.09 1xk9 s ILE 571 Ca 0.33 1.12 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 1xk9 s ILE 571 Cb 0.20 -4.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1xk9 s ILE 571 CO 0.33 -0.60 0.76 -2.16 0.00 0.00 0.00 174.94 173.27 1xk9 s PRO 572 N 3.55 3.83 0.31 2.79 0.04 -1.26 -4.41 135.00 139.85 1xk9 s PRO 572 Ca 0.38 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 1xk9 s PRO 572 Cb -0.11 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1xk9 s PRO 572 CO 0.20 0.01 0.55 0.95 0.04 0.00 0.00 177.00 178.75 1xk9 s THR 573 N -2.28 5.05 -0.39 1.26 -4.23 -1.26 -4.98 115.64 108.81 1xk9 s THR 573 Ca 0.52 -0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 1xk9 s THR 573 Cb -0.10 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.98 1xk9 s THR 573 CO 0.28 -0.39 0.26 -0.62 -0.54 0.00 0.00 174.62 173.61 1xk9 s ASP 574 N -3.42 5.99 0.09 3.99 2.15 -1.26 -4.90 116.67 119.31 1xk9 s ASP 574 Ca 0.43 -0.83 0.13 0.00 0.43 0.00 0.00 52.55 52.70 1xk9 s ASP 574 Cb -0.10 -2.12 0.57 0.00 -0.30 0.00 0.00 42.92 40.97 1xk9 s ASP 574 CO 0.32 -0.39 1.39 -0.81 -0.17 0.00 0.00 175.17 175.51 1xk9 n PRO 575 N 5.10 0.05 0.05 4.34 -0.04 -1.26 -1.16 135.00 142.08 1xk9 n PRO 575 Ca -0.12 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1xk9 n PRO 575 Cb 0.47 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 1xk9 n PRO 575 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xk9 n ARG 576 N -1.74 0.54 -3.13 0.54 5.12 -1.26 -4.55 116.66 112.18 1xk9 n ARG 576 Ca 0.01 -0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1xk9 n ARG 576 Cb 0.11 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 29.70 1xk9 n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1xk9 n ASN 577 N -2.35 2.34 -4.77 0.55 5.15 -0.31 -5.09 115.26 110.78 1xk9 n ASN 577 Ca -0.01 -3.25 -0.41 0.00 -0.60 0.00 0.00 54.58 50.31 1xk9 n ASN 577 Cb 0.53 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 39.15 1xk9 n ASN 577 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xk9 s VAL 578 N -2.97 2.77 0.00 3.44 1.01 -1.18 -2.13 120.40 121.33 1xk9 s VAL 578 Ca 0.42 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1xk9 s VAL 578 Cb 0.28 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1xk9 s VAL 578 CO -0.10 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1xk9 n GLY 579 N 0.82 2.94 3.64 4.51 0.00 -1.26 -5.01 105.19 110.83 1xk9 n GLY 579 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xk9 n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xk9 s GLY 580 N -1.29 1.62 0.55 -0.02 0.00 -0.91 -5.00 107.32 102.28 1xk9 s GLY 580 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.75 1xk9 s GLY 580 CO 0.00 0.70 1.01 0.99 0.00 0.00 0.00 173.10 175.80 1xk9 s ASP 581 N -2.87 6.39 0.19 1.64 1.01 -1.26 -4.87 116.67 116.89 1xk9 s ASP 581 Ca 0.66 1.58 -0.32 0.00 0.71 0.00 0.00 52.55 55.18 1xk9 s ASP 581 Cb -0.22 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.10 1xk9 s ASP 581 CO 0.60 -0.75 1.62 -0.22 0.21 0.00 0.00 175.17 176.63 1xk9 s LEU 582 N -4.39 4.37 -0.67 1.23 2.96 -1.26 -4.93 118.68 115.99 1xk9 s LEU 582 Ca 0.59 2.73 -0.24 0.00 -0.22 0.00 0.00 54.13 56.98 1xk9 s LEU 582 Cb -0.11 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.04 1xk9 s LEU 582 CO 0.37 -0.88 1.05 -0.62 -1.32 0.00 0.00 176.35 174.95 1xk9 s ASP 583 N 1.11 6.19 0.61 3.68 -1.08 -1.26 -4.89 116.67 121.03 1xk9 s ASP 583 Ca 0.71 -0.76 0.27 0.00 -0.52 0.00 0.00 52.55 52.26 1xk9 s ASP 583 Cb -0.46 -2.46 1.32 0.00 -1.46 0.00 0.00 42.92 39.86 1xk9 s ASP 583 CO 0.32 -1.52 1.74 1.55 0.52 0.00 0.00 175.17 177.78 1xk9 h PRO 584 N 9.66 0.00 0.00 4.34 0.13 -1.99 0.56 132.00 144.70 1xk9 h PRO 584 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xk9 h PRO 584 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xk9 h PRO 584 CO 1.20 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.40 1xk9 n SER 585 N -3.42 0.00 -0.44 1.44 7.64 -1.26 -2.27 113.62 115.31 1xk9 n SER 585 Ca 0.09 -0.38 0.13 0.00 1.01 0.00 0.00 58.87 59.72 1xk9 n SER 585 Cb 0.80 -0.19 0.28 0.00 -1.01 0.00 0.00 64.21 64.10 1xk9 n SER 585 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xk9 n SER 586 N -1.19 1.61 -4.59 6.43 3.41 0.20 -4.82 113.62 114.67 1xk9 n SER 586 Ca 0.16 -1.31 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 1xk9 n SER 586 Cb 0.18 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1xk9 n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xk9 s ILE 587 N -2.33 4.57 0.25 -1.33 1.01 -0.96 -4.50 121.20 117.91 1xk9 s ILE 587 Ca 0.26 0.97 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 1xk9 s ILE 587 Cb 0.19 -4.35 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1xk9 s ILE 587 CO 0.47 -0.63 1.64 -2.65 0.00 0.00 0.00 174.94 173.77 1xk9 n PRO 588 N 6.86 2.68 -0.36 2.79 -0.02 -1.26 -4.87 135.00 140.81 1xk9 n PRO 588 Ca 0.06 0.96 0.07 0.00 -2.02 0.00 0.00 63.50 62.57 1xk9 n PRO 588 Cb 0.48 -2.76 0.24 0.00 -0.02 0.00 0.00 33.50 31.44 1xk9 n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xk9 h ASP 589 N 5.59 0.92 0.12 2.55 3.32 -1.97 0.21 116.42 127.16 1xk9 h ASP 589 Ca -0.45 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1xk9 h ASP 589 Cb 1.22 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1xk9 h ASP 589 CO 0.86 0.49 -0.04 0.11 -1.72 0.00 0.00 179.24 178.94 1xk9 h LYS 590 N 0.99 0.00 0.14 3.56 1.57 -1.97 -0.93 116.57 119.93 1xk9 h LYS 590 Ca 0.50 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.95 1xk9 h LYS 590 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1xk9 h LYS 590 CO -0.27 0.04 -1.66 1.49 -0.57 0.00 0.00 179.45 178.48 1xk9 h GLU 591 N 0.00 0.30 -0.25 3.15 4.81 -1.34 -3.29 114.58 117.96 1xk9 h GLU 591 Ca -0.00 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xk9 h GLU 591 Cb 0.10 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1xk9 h GLU 591 CO 0.00 1.18 0.14 0.37 -0.73 0.00 0.00 179.01 179.97 1xk9 h GLN 592 N 0.08 0.34 -0.01 1.92 5.75 -0.73 -2.18 115.11 120.28 1xk9 h GLN 592 Ca -0.30 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.10 1xk9 h GLN 592 Cb 2.05 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.52 1xk9 h GLN 592 CO 0.16 0.25 -0.33 0.00 -2.65 0.00 0.00 178.83 176.26 1xk9 h ALA 593 N 1.81 1.44 -0.61 3.38 0.00 -1.26 -2.75 119.26 121.27 1xk9 h ALA 593 Ca 0.09 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1xk9 h ALA 593 Cb 0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 1xk9 h ALA 593 CO -0.02 0.42 0.19 0.44 0.00 0.00 0.00 179.25 180.28 1xk9 n ILE 594 N -4.14 2.79 -0.92 0.00 -5.35 -0.83 -4.60 119.36 106.31 1xk9 n ILE 594 Ca -0.02 -1.84 0.08 0.00 -0.27 0.00 0.00 62.75 60.71 1xk9 n ILE 594 Cb 0.37 -0.34 0.30 0.00 -1.74 0.00 0.00 39.64 38.23 1xk9 n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xk9 n SER 595 N -0.36 4.39 -4.77 7.28 7.64 -1.04 -4.96 113.62 121.80 1xk9 n SER 595 Ca 0.37 -2.92 -0.37 0.00 1.01 0.00 0.00 58.87 56.96 1xk9 n SER 595 Cb 1.27 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1xk9 n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xk9 s ALA 596 N -2.68 2.92 0.28 -0.43 0.00 -1.26 -5.00 121.76 115.58 1xk9 s ALA 596 Ca 0.45 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1xk9 s ALA 596 Cb 0.35 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1xk9 s ALA 596 CO 0.12 -0.82 0.30 -0.51 0.00 0.00 0.00 175.76 174.85 1xk9 s LEU 597 N -3.19 3.91 0.74 0.00 1.43 -1.26 -4.79 118.68 115.52 1xk9 s LEU 597 Ca 0.66 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1xk9 s LEU 597 Cb -0.31 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.44 1xk9 s LEU 597 CO 0.37 -0.18 1.09 -2.84 0.23 0.00 0.00 176.35 175.01 1xk9 s PRO 598 N -3.97 2.55 0.00 1.29 0.02 -1.26 -5.01 135.00 128.63 1xk9 s PRO 598 Ca 0.37 0.63 -0.26 0.00 0.02 0.00 0.00 61.00 61.76 1xk9 s PRO 598 Cb -0.08 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 1xk9 s PRO 598 CO 0.27 -1.29 0.79 -0.51 -0.33 0.00 0.00 177.00 175.93 1xk9 s ASP 599 N -4.06 7.18 0.35 2.53 1.01 -1.26 -5.06 116.67 117.36 1xk9 s ASP 599 Ca 0.59 1.42 0.07 0.00 0.71 0.00 0.00 52.55 55.34 1xk9 s ASP 599 Cb -0.13 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1xk9 s ASP 599 CO 0.53 -0.08 0.44 -0.31 0.21 0.00 0.00 175.17 175.96 1xk9 s TYR 600 N 0.42 3.03 0.02 4.23 2.02 -1.26 -5.05 117.35 120.76 1xk9 s TYR 600 Ca 0.41 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 1xk9 s TYR 600 Cb -0.20 -1.99 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 1xk9 s TYR 600 CO 0.23 -0.01 0.45 0.00 -1.57 0.00 0.00 175.55 174.65 1xk9 s ALA 601 N -2.23 3.67 0.00 3.71 0.00 -0.96 -4.82 121.76 121.12 1xk9 s ALA 601 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1xk9 s ALA 601 Cb -0.09 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1xk9 s ALA 601 CO 0.30 0.45 0.16 -1.13 0.00 0.00 0.00 175.76 175.54