#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 2.11 1.15 4.31 3.01 -1.26 -4.40 117.46 122.38 1xk9 n PHE 400 Ca 0.00 -0.83 0.14 0.00 1.01 0.00 0.00 57.45 57.76 1xk9 n PHE 400 Cb 0.00 -0.55 0.52 0.00 -0.01 0.00 0.00 39.48 39.43 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 0.37 0.31 0.00 4.37 4.77 -1.26 -4.60 117.00 120.96 1xk9 n LEU 401 Ca 0.30 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1xk9 n LEU 401 Cb 1.22 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1xk9 n LEU 401 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1xk9 n GLY 402 N 1.42 -1.62 3.85 -0.72 0.00 -1.26 -4.74 105.19 102.11 1xk9 n GLY 402 Ca 0.09 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 6.79 0.00 1.61 1.11 -1.26 -4.96 116.67 115.96 1xk9 s ASP 403 Ca 0.00 1.06 0.00 0.00 0.18 0.00 0.00 52.55 53.79 1xk9 s ASP 403 Cb 0.00 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.71 1xk9 s ASP 403 CO 0.00 0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.02 1xk9 n GLY 404 N 0.60 3.18 0.00 0.21 0.00 -1.26 -4.84 105.19 103.07 1xk9 n GLY 404 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.79 -1.31 3.62 -0.02 0.00 -1.26 -4.91 105.19 99.52 1xk9 n GLY 405 Ca 0.00 -1.63 -0.54 0.00 0.00 0.00 0.00 46.02 43.85 1xk9 n GLY 405 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xk9 n ASP 406 N -2.62 2.44 -4.69 1.61 10.43 -1.26 -4.85 116.55 117.61 1xk9 n ASP 406 Ca 0.00 0.87 -0.42 0.00 2.57 0.00 0.00 54.79 57.80 1xk9 n ASP 406 Cb 0.00 -1.20 -0.03 0.00 1.84 0.00 0.00 41.12 41.73 1xk9 n ASP 406 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xk9 s VAL 407 N 4.74 4.76 -0.05 2.53 1.01 -1.26 -4.49 120.40 127.64 1xk9 s VAL 407 Ca 1.01 2.02 0.00 0.00 0.00 0.00 0.00 61.98 65.01 1xk9 s VAL 407 Cb -0.97 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.14 1xk9 s VAL 407 CO 0.59 0.03 -0.02 -0.55 0.00 0.00 0.00 175.10 175.14 1xk9 s SER 408 N 1.11 1.17 0.31 3.32 0.15 -0.99 -4.95 113.70 113.81 1xk9 s SER 408 Ca 0.49 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 1xk9 s SER 408 Cb -0.19 -0.43 -0.10 0.00 -1.71 0.00 0.00 66.02 63.59 1xk9 s SER 408 CO 0.20 -0.11 0.96 -0.36 1.20 0.00 0.00 173.24 175.12 1xk9 s PHE 409 N 1.35 3.73 0.12 3.44 0.08 -1.26 0.34 117.98 125.78 1xk9 s PHE 409 Ca -0.04 1.80 -0.25 0.00 0.12 0.00 0.00 56.93 58.56 1xk9 s PHE 409 Cb -0.13 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 39.42 1xk9 s PHE 409 CO -0.02 0.17 0.77 -1.54 -0.10 0.00 0.00 175.22 174.50 1xk9 s SER 410 N -1.47 -0.40 0.63 1.36 1.04 -1.24 -4.91 113.70 108.71 1xk9 s SER 410 Ca 0.48 -0.15 0.39 0.00 0.48 0.00 0.00 55.95 57.16 1xk9 s SER 410 Cb -0.21 0.53 2.09 0.00 0.10 0.00 0.00 66.02 68.53 1xk9 s SER 410 CO 0.27 -0.90 2.27 0.71 0.98 0.00 0.00 173.24 176.57 1xk9 h THR 411 N 2.00 0.13 -0.20 2.02 1.35 -1.91 -0.82 112.91 115.49 1xk9 h THR 411 Ca -0.26 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1xk9 h THR 411 Cb 1.27 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1xk9 h THR 411 CO 0.32 0.01 0.00 0.54 -0.25 0.00 0.00 175.52 176.14 1xk9 n ARG 412 N -3.24 1.69 0.00 4.72 5.12 -1.26 -4.33 116.66 119.36 1xk9 n ARG 412 Ca -0.02 -1.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 1xk9 n ARG 412 Cb 0.13 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 1.08 2.96 3.65 -0.13 0.00 -0.31 -4.97 105.19 107.47 1xk9 n GLY 413 Ca 0.15 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.32 3.76 0.19 2.61 2.01 -1.26 -3.65 115.64 116.98 1xk9 s THR 414 Ca 0.00 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1xk9 s THR 414 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 1xk9 s THR 414 CO 0.00 -0.12 1.17 -1.10 -0.69 0.00 0.00 174.62 173.87 1xk9 s GLN 415 N 4.05 4.52 -1.28 4.92 -1.52 0.15 -3.43 119.66 127.07 1xk9 s GLN 415 Ca 0.69 1.83 -0.01 0.00 -1.95 0.00 0.00 55.36 55.92 1xk9 s GLN 415 Cb -0.29 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1xk9 s GLN 415 CO 0.26 -0.04 0.07 0.09 -0.25 0.00 0.00 175.29 175.43 1xk9 n ASN 416 N 2.43 -4.66 -3.95 5.90 3.02 -1.26 -2.36 115.26 114.37 1xk9 n ASN 416 Ca 0.04 -0.05 -0.27 0.00 -0.03 0.00 0.00 54.58 54.26 1xk9 n ASN 416 Cb 0.45 -3.75 -0.17 0.00 -0.61 0.00 0.00 39.78 35.70 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 -2.81 1.68 0.22 3.10 -0.11 -1.22 -4.58 118.94 115.22 1xk9 s TRP 417 Ca 0.04 -0.85 0.04 0.00 1.22 0.00 0.00 56.10 56.55 1xk9 s TRP 417 Cb -0.02 -1.32 -0.05 0.00 -1.50 0.00 0.00 33.47 30.58 1xk9 s TRP 417 CO 0.05 -0.53 -0.03 0.95 -4.62 0.00 0.00 176.95 172.76 1xk9 s THR 418 N 1.52 1.18 0.49 5.86 -4.23 -1.26 -4.92 115.64 114.28 1xk9 s THR 418 Ca 0.03 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 58.63 1xk9 s THR 418 Cb -0.13 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.68 1xk9 s THR 418 CO -0.07 -0.40 2.10 -0.37 -0.54 0.00 0.00 174.62 175.34 1xk9 h VAL 419 N 2.49 1.04 -0.32 2.29 -1.51 -1.98 -0.42 116.25 117.83 1xk9 h VAL 419 Ca -0.38 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 64.88 1xk9 h VAL 419 Cb 1.22 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1xk9 h VAL 419 CO 0.65 0.05 0.06 -0.08 -1.23 0.00 0.00 177.57 177.02 1xk9 h GLU 420 N 0.04 0.54 -0.39 5.19 4.81 -1.99 -0.04 114.58 122.73 1xk9 h GLU 420 Ca 0.01 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1xk9 h GLU 420 Cb 0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xk9 h GLU 420 CO 0.00 0.62 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.57 1xk9 h ARG 421 N 0.37 0.80 -0.67 1.92 2.43 -1.69 -2.43 114.38 115.11 1xk9 h ARG 421 Ca 0.10 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1xk9 h ARG 421 Cb 0.34 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1xk9 h ARG 421 CO 0.01 0.96 0.42 1.25 -1.51 0.00 0.00 179.97 181.10 1xk9 h LEU 422 N 0.69 0.70 -1.02 3.80 7.12 -0.84 -0.38 115.31 125.38 1xk9 h LEU 422 Ca 0.09 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.03 1xk9 h LEU 422 Cb 0.77 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1xk9 h LEU 422 CO 0.06 0.49 -0.05 -0.07 -0.13 0.00 0.00 178.44 178.74 1xk9 h LEU 423 N 0.83 0.62 -0.22 2.25 3.38 -0.71 0.35 115.31 121.80 1xk9 h LEU 423 Ca 0.26 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1xk9 h LEU 423 Cb -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xk9 h LEU 423 CO -0.10 0.72 -0.19 -0.61 0.09 0.00 0.00 178.44 178.35 1xk9 h GLN 424 N 0.60 0.52 -0.54 1.13 4.15 -0.97 -1.31 115.11 118.70 1xk9 h GLN 424 Ca 0.12 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1xk9 h GLN 424 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1xk9 h GLN 424 CO 0.02 0.84 0.11 0.00 -1.93 0.00 0.00 178.83 177.87 1xk9 h ALA 425 N 0.67 1.19 -0.22 3.38 0.00 -0.84 -1.21 119.26 122.23 1xk9 h ALA 425 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xk9 h ALA 425 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xk9 h ALA 425 CO 0.05 0.55 0.07 1.25 0.00 0.00 0.00 179.25 181.17 1xk9 h HIS 426 N 0.80 0.35 -0.32 0.00 -0.00 -0.81 -0.80 115.15 114.38 1xk9 h HIS 426 Ca 0.17 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.54 1xk9 h HIS 426 Cb 0.32 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 1xk9 h HIS 426 CO 0.02 0.41 0.13 -0.09 -0.00 0.00 0.00 177.93 178.40 1xk9 h ARG 427 N 0.19 0.27 -0.79 5.26 2.43 -0.91 -1.13 114.38 119.71 1xk9 h ARG 427 Ca 0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xk9 h ARG 427 Cb 0.22 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1xk9 h ARG 427 CO -0.00 0.18 0.52 1.96 -1.51 0.00 0.00 179.97 181.12 1xk9 h GLN 428 N 0.28 1.02 0.06 0.20 4.20 -1.09 -0.95 115.11 118.84 1xk9 h GLN 428 Ca 0.14 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xk9 h GLN 428 Cb 0.08 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1xk9 h GLN 428 CO -0.12 0.67 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.61 1xk9 h LEU 429 N 1.05 -0.07 -1.14 1.46 3.38 -0.60 -2.09 115.31 117.31 1xk9 h LEU 429 Ca 0.29 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xk9 h LEU 429 Cb -0.10 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xk9 h LEU 429 CO -0.07 0.04 0.13 -0.33 0.09 0.00 0.00 178.44 178.30 1xk9 h GLU 430 N -0.18 0.74 0.00 1.13 5.08 -1.08 -0.50 114.58 119.76 1xk9 h GLU 430 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xk9 h GLU 430 Cb 0.16 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xk9 h GLU 430 CO 0.01 0.66 -0.04 1.49 -1.00 0.00 0.00 179.01 180.13 1xk9 h GLU 431 N 0.72 0.00 -0.71 2.33 4.22 -0.96 -2.13 114.58 118.04 1xk9 h GLU 431 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1xk9 h GLU 431 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xk9 h GLU 431 CO -0.00 0.04 0.00 0.54 -2.18 0.00 0.00 179.01 177.41 1xk9 n ARG 432 N -3.21 2.84 -0.58 1.92 1.74 -0.58 -4.93 116.66 113.86 1xk9 n ARG 432 Ca -0.01 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.45 1xk9 n ARG 432 Cb 0.26 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.56 0.65 3.79 -0.13 0.00 -0.80 -4.97 105.19 105.29 1xk9 n GLY 433 Ca 0.24 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 3.31 -0.01 1.61 1.51 -0.30 0.46 117.35 121.92 1xk9 s TYR 434 Ca 0.00 0.23 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1xk9 s TYR 434 Cb 0.00 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 1xk9 s TYR 434 CO 0.00 0.56 -0.16 0.14 -1.11 0.00 0.00 175.55 174.98 1xk9 s VAL 435 N -1.17 1.25 0.25 0.71 -7.23 -0.16 -3.51 120.40 110.53 1xk9 s VAL 435 Ca 0.22 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 1xk9 s VAL 435 Cb -0.12 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1xk9 s VAL 435 CO 0.13 0.35 1.29 0.12 -0.31 0.00 0.00 175.10 176.68 1xk9 s PHE 436 N -0.34 3.23 0.00 2.82 5.36 -1.26 -1.71 117.98 126.08 1xk9 s PHE 436 Ca 0.05 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1xk9 s PHE 436 Cb -0.06 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 1xk9 s PHE 436 CO -0.00 -1.74 0.57 1.33 -1.46 0.00 0.00 175.22 173.91 1xk9 n VAL 437 N 1.91 0.30 0.00 3.12 0.24 -0.14 -4.34 118.33 119.42 1xk9 n VAL 437 Ca 0.03 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1xk9 n VAL 437 Cb 0.43 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.15 2.38 3.89 7.63 0.00 -1.24 -4.55 105.19 113.15 1xk9 n GLY 438 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.69 3.47 -0.09 1.61 2.02 0.66 -0.64 117.35 122.68 1xk9 s TYR 439 Ca 0.00 0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1xk9 s TYR 439 Cb 0.00 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1xk9 s TYR 439 CO 0.00 0.59 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.93 1xk9 s HIS 440 N -1.45 1.26 -0.18 2.71 5.65 -0.33 -0.62 115.29 122.34 1xk9 s HIS 440 Ca 0.32 -0.56 -0.08 0.00 0.25 0.00 0.00 55.06 54.99 1xk9 s HIS 440 Cb -0.13 -1.09 -0.04 0.00 -1.18 0.00 0.00 32.58 30.14 1xk9 s HIS 440 CO 0.25 -0.43 0.10 0.20 -0.65 0.00 0.00 174.74 174.21 1xk9 s GLY 441 N 1.59 2.00 0.37 1.59 0.00 -1.22 -0.27 107.32 111.38 1xk9 s GLY 441 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 1xk9 s GLY 441 CO -0.06 0.01 0.69 -1.08 0.00 0.00 0.00 173.10 172.66 1xk9 s THR 442 N 0.11 0.00 0.57 0.90 -1.32 -0.94 -4.16 115.64 110.80 1xk9 s THR 442 Ca 0.07 -1.18 -0.14 0.00 -1.21 0.00 0.00 61.69 59.23 1xk9 s THR 442 Cb -0.12 -2.78 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1xk9 s THR 442 CO -0.00 0.00 1.02 0.72 -2.21 0.00 0.00 174.62 174.14 1xk9 s PHE 443 N -2.59 3.39 0.18 9.09 -0.71 -1.26 -1.66 117.98 124.41 1xk9 s PHE 443 Ca 0.20 1.42 -0.22 0.00 -1.04 0.00 0.00 56.93 57.29 1xk9 s PHE 443 Cb -0.04 -2.82 0.08 0.00 -1.21 0.00 0.00 43.02 39.03 1xk9 s PHE 443 CO 0.14 -0.66 1.39 1.28 -1.34 0.00 0.00 175.22 176.03 1xk9 n LEU 444 N -2.12 -0.77 -0.06 -1.99 4.32 -1.26 -1.48 117.00 113.64 1xk9 n LEU 444 Ca 0.07 1.59 -0.01 0.00 -0.02 0.00 0.00 56.01 57.63 1xk9 n LEU 444 Cb 0.54 -0.28 0.26 0.00 -1.62 0.00 0.00 43.42 42.31 1xk9 n LEU 444 CO 0.51 -1.36 0.96 -0.33 -1.22 0.00 0.00 177.39 175.95 1xk9 h GLU 445 N 0.00 0.65 -0.14 3.23 3.07 -1.94 -0.45 114.58 119.00 1xk9 h GLU 445 Ca 0.23 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 1xk9 h GLU 445 Cb 0.45 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1xk9 h GLU 445 CO -0.87 0.63 -0.48 0.00 -1.40 0.00 0.00 179.01 176.89 1xk9 h ALA 446 N 1.44 0.91 -0.28 3.43 0.00 -1.67 -1.19 119.26 121.90 1xk9 h ALA 446 Ca 0.14 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1xk9 h ALA 446 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xk9 h ALA 446 CO 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 1xk9 h ALA 447 N 1.19 0.39 -0.26 0.00 0.00 -0.56 0.07 119.26 120.08 1xk9 h ALA 447 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xk9 h ALA 447 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1xk9 h ALA 447 CO 0.08 0.18 0.13 0.37 0.00 0.00 0.00 179.25 180.02 1xk9 h GLN 448 N 0.30 0.27 -0.35 0.00 5.75 -0.94 -0.82 115.11 119.32 1xk9 h GLN 448 Ca 0.07 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1xk9 h GLN 448 Cb 0.52 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1xk9 h GLN 448 CO 0.02 0.18 0.12 1.03 -2.65 0.00 0.00 178.83 177.53 1xk9 h SER 449 N 0.28 0.49 -0.16 -0.69 0.87 -1.13 -1.84 113.55 111.37 1xk9 h SER 449 Ca 0.10 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1xk9 h SER 449 Cb 0.02 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1xk9 h SER 449 CO -0.07 0.55 0.11 0.40 -0.53 0.00 0.00 176.83 177.28 1xk9 h ILE 450 N 0.41 1.05 -0.16 2.23 2.04 -0.77 0.47 117.51 122.78 1xk9 h ILE 450 Ca 0.11 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1xk9 h ILE 450 Cb 0.22 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1xk9 h ILE 450 CO -0.01 0.05 0.03 0.58 0.00 0.00 0.00 178.15 178.80 1xk9 h VAL 451 N 0.21 1.22 0.00 1.67 2.07 -1.13 -0.11 116.25 120.18 1xk9 h VAL 451 Ca 0.06 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.74 1xk9 h VAL 451 Cb -0.01 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1xk9 h VAL 451 CO -0.01 0.21 -1.52 0.49 0.02 0.00 0.00 177.57 176.75 1xk9 n PHE 452 N -4.79 0.76 0.00 1.57 3.01 -0.70 -4.42 117.46 112.89 1xk9 n PHE 452 Ca -0.05 0.25 0.06 0.00 1.01 0.00 0.00 57.45 58.72 1xk9 n PHE 452 Cb 0.18 -0.99 -0.10 0.00 -0.01 0.00 0.00 39.48 38.56 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 1.38 -0.57 0.00 1.37 0.00 0.16 -5.07 105.19 102.46 1xk9 n GLY 453 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.79 1.55 3.77 -0.02 0.00 -0.05 -4.97 105.19 107.26 1xk9 n GLY 454 Ca -0.02 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.98 3.11 -0.25 1.61 1.01 -1.25 -4.35 120.40 117.29 1xk9 s VAL 455 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 61.98 62.85 1xk9 s VAL 455 Cb 0.00 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1xk9 s VAL 455 CO 0.00 0.09 0.53 -0.60 0.00 0.00 0.00 175.10 175.13 1xk9 s ARG 456 N -2.28 0.46 0.28 2.72 3.52 -1.26 -4.43 118.95 117.96 1xk9 s ARG 456 Ca 0.57 1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 57.07 1xk9 s ARG 456 Cb -0.31 0.55 -0.12 0.00 -1.56 0.00 0.00 34.95 33.51 1xk9 s ARG 456 CO 0.39 -0.27 1.59 0.00 -0.81 0.00 0.00 175.30 176.20 1xk9 n ALA 457 N 5.42 2.47 -0.41 6.12 0.00 -1.26 -5.12 120.51 127.73 1xk9 n ALA 457 Ca -0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1xk9 n ALA 457 Cb 0.49 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1xk9 n ALA 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xk9 n ARG 458 N 2.28 1.54 -0.24 0.00 1.74 -1.26 -5.21 116.66 115.51 1xk9 n ARG 458 Ca 0.09 -1.01 0.09 0.00 -0.77 0.00 0.00 57.85 56.25 1xk9 n ARG 458 Cb 0.36 -0.79 0.35 0.00 -1.02 0.00 0.00 32.46 31.36 1xk9 n ARG 458 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1xk9 h ILE 465 N 1.16 0.94 -0.64 0.55 1.08 -2.01 -3.57 117.51 115.02 1xk9 h ILE 465 Ca 0.00 -0.26 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 1xk9 h ILE 465 Cb 0.66 0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.45 1xk9 h ILE 465 CO 0.00 0.14 0.15 0.79 -0.69 0.00 0.00 178.15 178.54 1xk9 n TRP 466 N -4.52 2.19 -2.48 1.37 7.02 -1.26 -3.56 117.44 116.21 1xk9 n TRP 466 Ca 0.14 -0.95 -0.39 0.00 -1.02 0.00 0.00 57.50 55.28 1xk9 n TRP 466 Cb 0.34 -0.59 -0.04 0.00 -2.42 0.00 0.00 31.31 28.60 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 -2.76 4.47 0.00 -0.99 1.70 -1.26 -4.95 118.95 115.16 1xk9 s ARG 467 Ca 0.52 1.73 0.00 0.00 -0.47 0.00 0.00 55.73 57.51 1xk9 s ARG 467 Cb 0.41 -2.98 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1xk9 s ARG 467 CO 0.14 0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 1xk9 n GLY 468 N 0.92 -1.09 3.58 3.88 0.00 -1.26 -4.42 105.19 106.79 1xk9 n GLY 468 Ca 0.01 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 3.22 -0.19 1.61 5.36 0.75 -4.87 117.98 120.85 1xk9 s PHE 469 Ca 0.00 0.24 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 1xk9 s PHE 469 Cb 0.00 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1xk9 s PHE 469 CO 0.00 -0.38 0.42 0.71 -1.46 0.00 0.00 175.22 174.51 1xk9 s TYR 470 N 2.16 3.39 0.36 10.12 1.51 -1.26 0.08 117.35 133.71 1xk9 s TYR 470 Ca 0.15 0.66 0.06 0.00 -1.01 0.00 0.00 57.07 56.93 1xk9 s TYR 470 Cb -0.16 -2.54 -0.03 0.00 -0.11 0.00 0.00 41.96 39.12 1xk9 s TYR 470 CO 0.11 -0.00 0.21 0.96 -1.11 0.00 0.00 175.55 175.72 1xk9 s ILE 471 N 1.28 0.24 -0.19 2.71 -4.36 0.77 -4.74 121.20 116.91 1xk9 s ILE 471 Ca 0.20 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 1xk9 s ILE 471 Cb -0.15 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.20 1xk9 s ILE 471 CO 0.08 0.00 0.49 0.00 0.24 0.00 0.00 174.94 175.76 1xk9 s ALA 472 N -3.35 -1.25 0.28 2.27 0.00 0.21 -0.29 121.76 119.62 1xk9 s ALA 472 Ca 0.33 1.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.79 1xk9 s ALA 472 Cb 0.02 -0.90 0.37 0.00 0.00 0.00 0.00 23.12 22.61 1xk9 s ALA 472 CO 0.22 -0.26 1.93 0.78 0.00 0.00 0.00 175.76 178.43 1xk9 h GLY 473 N 5.97 1.20 -6.19 0.00 0.00 -1.80 0.19 103.07 102.44 1xk9 h GLY 473 Ca -0.30 -0.49 -0.60 0.00 0.00 0.00 0.00 47.33 45.94 1xk9 h GLY 473 CO 0.22 0.47 0.36 -0.35 0.00 0.00 0.00 176.54 177.24 1xk9 s ASP 474 N -6.29 6.69 0.52 0.19 -1.08 -1.26 -4.68 116.67 110.75 1xk9 s ASP 474 Ca -0.12 0.77 0.20 0.00 -0.52 0.00 0.00 52.55 52.88 1xk9 s ASP 474 Cb 0.17 -2.40 1.36 0.00 -1.46 0.00 0.00 42.92 40.60 1xk9 s ASP 474 CO 0.80 -0.53 2.13 1.55 0.52 0.00 0.00 175.17 179.64 1xk9 h PRO 475 N 7.95 0.00 -0.24 4.34 0.13 -1.96 -2.61 132.00 139.60 1xk9 h PRO 475 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 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 0.85 0.06 0.07 0.00 -0.23 0.00 0.00 178.00 178.75 1xk9 h ALA 476 N 1.94 1.68 -0.03 -0.56 0.00 -1.94 0.71 119.26 121.05 1xk9 h ALA 476 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xk9 h ALA 476 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xk9 h ALA 476 CO 0.01 0.25 -0.28 1.25 0.00 0.00 0.00 179.25 180.48 1xk9 h LEU 477 N 0.33 0.30 -1.33 0.00 5.85 -1.85 -3.21 115.31 115.40 1xk9 h LEU 477 Ca 0.08 -0.70 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 1xk9 h LEU 477 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xk9 h LEU 477 CO -0.01 0.96 -0.10 0.00 -0.34 0.00 0.00 178.44 178.95 1xk9 h ALA 478 N 0.35 1.45 -0.47 1.25 0.00 -1.53 -2.75 119.26 117.57 1xk9 h ALA 478 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1xk9 h ALA 478 Cb 0.97 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1xk9 h ALA 478 CO 0.06 0.39 0.31 -0.92 0.00 0.00 0.00 179.25 179.08 1xk9 h TYR 479 N 0.31 0.55 -0.01 0.00 5.03 -0.88 -1.43 116.97 120.54 1xk9 h TYR 479 Ca 0.06 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1xk9 h TYR 479 Cb 0.38 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.47 1xk9 h TYR 479 CO 0.01 0.34 0.04 0.78 -1.32 0.00 0.00 178.16 178.01 1xk9 h GLY 480 N 0.59 0.00 -1.44 1.82 0.00 -1.49 0.00 103.07 102.55 1xk9 h GLY 480 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1xk9 h GLY 480 CO -0.04 0.00 -0.12 -1.72 0.00 0.00 0.00 176.54 174.65 1xk9 n TYR 481 N -3.26 0.00 -1.64 5.60 4.01 -0.55 -4.72 117.16 116.60 1xk9 n TYR 481 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1xk9 n TYR 481 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.80 6.37 -3.67 -0.72 0.00 -0.02 -3.26 120.51 120.01 1xk9 n ALA 482 Ca 0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 53.44 49.71 1xk9 n ALA 482 Cb 0.49 -3.39 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 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 2.32 0.95 0.62 0.00 -2.07 -1.24 0.11 119.66 120.34 1xk9 s GLN 483 Ca 0.55 -0.49 -0.18 0.00 -1.82 0.00 0.00 55.36 53.42 1xk9 s GLN 483 Cb 0.15 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.40 1xk9 s GLN 483 CO -0.07 -0.43 1.22 -0.51 -1.32 0.00 0.00 175.29 174.17 1xk9 s ASP 484 N -2.81 4.99 0.04 12.60 1.01 -0.77 -4.11 116.67 127.62 1xk9 s ASP 484 Ca 0.11 2.41 0.22 0.00 0.71 0.00 0.00 52.55 56.00 1xk9 s ASP 484 Cb -0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1xk9 s ASP 484 CO -0.01 -1.73 0.85 0.00 0.21 0.00 0.00 175.17 174.49 1xk9 n GLN 485 N -1.79 0.41 -4.02 8.23 1.13 -1.26 -4.86 117.38 115.22 1xk9 n GLN 485 Ca 0.14 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 1xk9 n GLN 485 Cb 0.50 -1.59 -0.11 0.00 0.11 0.00 0.00 30.24 29.14 1xk9 n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1xk9 s GLU 486 N -3.29 0.40 0.71 -1.09 2.02 -1.26 -5.16 118.70 111.02 1xk9 s GLU 486 Ca 0.00 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 1xk9 s GLU 486 Cb 0.14 -0.07 0.04 0.00 0.10 0.00 0.00 34.13 34.34 1xk9 s GLU 486 CO 0.84 -0.00 1.05 -1.25 0.02 0.00 0.00 175.26 175.92 1xk9 s PRO 487 N -1.45 2.45 0.04 0.39 0.04 -1.26 -4.79 135.00 130.42 1xk9 s PRO 487 Ca -0.13 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 60.98 1xk9 s PRO 487 Cb -0.10 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1xk9 s PRO 487 CO -0.00 -1.17 0.05 -0.40 0.04 0.00 0.00 177.00 175.52 1xk9 n ASP 488 N -2.97 0.03 0.32 6.66 5.68 -0.71 -4.86 116.55 120.70 1xk9 n ASP 488 Ca 0.07 -1.03 0.21 0.00 -0.50 0.00 0.00 54.79 53.54 1xk9 n ASP 488 Cb 0.59 -0.04 1.11 0.00 -1.14 0.00 0.00 41.12 41.65 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 -1.34 1.10 -0.15 2.12 0.00 -1.98 -2.14 119.26 116.87 1xk9 h ALA 489 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xk9 h ALA 489 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xk9 h ALA 489 CO 0.01 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1xk9 n ARG 490 N -3.23 2.16 -0.54 0.00 1.74 -1.26 -4.95 116.66 110.58 1xk9 n ARG 490 Ca -0.03 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1xk9 n ARG 490 Cb 0.10 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.33 0.73 3.75 -0.13 0.00 -0.80 -5.05 105.19 105.01 1xk9 n GLY 491 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.46 4.45 -0.24 1.61 3.52 -1.26 -4.76 118.95 121.80 1xk9 s ARG 492 Ca 0.00 0.97 0.01 0.00 -0.13 0.00 0.00 55.73 56.58 1xk9 s ARG 492 Cb 0.00 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 30.09 1xk9 s ARG 492 CO 0.00 0.30 -0.06 0.42 -0.81 0.00 0.00 175.30 175.15 1xk9 s ILE 493 N -0.05 1.63 0.51 4.11 1.01 -1.26 -1.74 121.20 125.41 1xk9 s ILE 493 Ca 0.36 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 1xk9 s ILE 493 Cb -0.20 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 1xk9 s ILE 493 CO 0.21 -0.11 0.97 -0.13 0.00 0.00 0.00 174.94 175.88 1xk9 s ARG 494 N 1.34 3.91 0.55 2.79 0.52 -1.26 -4.87 118.95 121.93 1xk9 s ARG 494 Ca -0.06 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 55.89 1xk9 s ARG 494 Cb -0.19 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 1xk9 s ARG 494 CO -0.06 -0.27 1.02 0.54 0.02 0.00 0.00 175.30 176.54 1xk9 s ASN 495 N -3.16 6.24 0.00 0.23 4.22 -1.26 -1.84 114.94 119.36 1xk9 s ASN 495 Ca 0.58 1.68 0.00 0.00 -2.14 0.00 0.00 52.86 52.98 1xk9 s ASN 495 Cb -0.10 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 39.91 1xk9 s ASN 495 CO 0.33 -0.85 0.00 0.61 -2.04 0.00 0.00 177.10 175.15 1xk9 n GLY 496 N -1.32 1.45 3.35 0.45 0.00 0.30 -4.57 105.19 104.85 1xk9 n GLY 496 Ca 0.08 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.70 -1.13 -0.09 4.61 0.00 -0.67 -4.63 121.76 117.15 1xk9 s ALA 497 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1xk9 s ALA 497 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1xk9 s ALA 497 CO 0.00 -0.44 0.12 -0.51 0.00 0.00 0.00 175.76 174.93 1xk9 s LEU 498 N -1.86 4.23 0.21 0.00 1.43 -1.26 -2.22 118.68 119.21 1xk9 s LEU 498 Ca -0.07 0.38 0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1xk9 s LEU 498 Cb -0.01 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1xk9 s LEU 498 CO -0.01 0.37 -0.21 -0.76 0.23 0.00 0.00 176.35 175.98 1xk9 s LEU 499 N -1.21 2.49 -0.19 1.79 2.01 0.62 -1.37 118.68 122.82 1xk9 s LEU 499 Ca 0.17 -0.93 -0.05 0.00 0.01 0.00 0.00 54.13 53.34 1xk9 s LEU 499 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 46.19 45.01 1xk9 s LEU 499 CO 0.07 0.05 -0.01 -0.13 1.01 0.00 0.00 176.35 177.34 1xk9 s ARG 500 N -3.02 3.63 -0.20 1.70 0.52 0.97 -1.18 118.95 121.37 1xk9 s ARG 500 Ca 0.23 -0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 54.83 1xk9 s ARG 500 Cb -0.06 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1xk9 s ARG 500 CO 0.11 0.05 0.11 0.08 0.02 0.00 0.00 175.30 175.66 1xk9 s VAL 501 N 0.89 5.12 0.07 3.52 1.01 0.18 -1.90 120.40 129.28 1xk9 s VAL 501 Ca 0.01 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.16 1xk9 s VAL 501 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1xk9 s VAL 501 CO 0.02 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 175.00 1xk9 s TYR 502 N 0.52 2.05 0.13 5.22 1.51 -0.56 -0.97 117.35 125.25 1xk9 s TYR 502 Ca 0.06 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 1xk9 s TYR 502 Cb -0.12 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1xk9 s TYR 502 CO 0.00 0.17 -0.15 0.14 -1.11 0.00 0.00 175.55 174.60 1xk9 s VAL 503 N -0.91 1.41 0.44 0.71 -7.23 -0.70 -1.35 120.40 112.77 1xk9 s VAL 503 Ca 0.10 -1.77 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 1xk9 s VAL 503 Cb -0.10 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.17 1xk9 s VAL 503 CO 0.03 -0.42 1.30 -2.84 -0.31 0.00 0.00 175.10 172.86 1xk9 s PRO 504 N -2.74 3.78 0.55 4.82 0.02 -1.26 -0.99 135.00 139.18 1xk9 s PRO 504 Ca 0.10 2.13 0.22 0.00 0.02 0.00 0.00 61.00 63.47 1xk9 s PRO 504 Cb -0.05 -2.61 1.50 0.00 0.02 0.00 0.00 34.50 33.36 1xk9 s PRO 504 CO 0.04 -0.64 2.19 0.07 -0.33 0.00 0.00 177.00 178.33 1xk9 h ARG 505 N 2.36 0.00 0.00 5.54 0.11 -0.34 -0.37 114.38 121.68 1xk9 h ARG 505 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1xk9 h ARG 505 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1xk9 h ARG 505 CO 0.61 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.55 1xk9 n SER 506 N -4.24 0.43 0.05 0.08 3.41 -1.26 -1.73 113.62 110.35 1xk9 n SER 506 Ca -0.03 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1xk9 n SER 506 Cb 0.09 -0.73 0.14 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.02 0.67 0.18 4.04 7.64 -0.15 -4.39 113.62 119.59 1xk9 n SER 507 Ca 0.00 0.04 0.17 0.00 1.01 0.00 0.00 58.87 60.09 1xk9 n SER 507 Cb 0.10 0.30 0.79 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.78 -3.43 3.38 -1.45 -2.35 115.31 108.68 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 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 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 -0.01 1.13 0.11 -1.80 -1.76 132.00 129.67 1xk9 h PRO 509 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1xk9 h PRO 509 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1xk9 h PRO 509 CO -0.00 0.00 -0.03 0.41 -0.21 0.00 0.00 178.00 178.16 1xk9 n GLY 510 N -1.18 -0.37 3.67 -0.55 0.00 -0.88 -4.84 105.19 101.04 1xk9 n GLY 510 Ca -0.03 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.10 3.42 0.13 1.61 0.40 -0.66 -0.42 117.98 120.36 1xk9 s PHE 511 Ca 0.38 1.02 0.07 0.00 -0.60 0.00 0.00 56.93 57.80 1xk9 s PHE 511 Cb 0.21 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1xk9 s PHE 511 CO 0.37 -0.13 -0.16 0.71 0.70 0.00 0.00 175.22 176.71 1xk9 s TYR 512 N 1.73 1.58 0.01 0.36 1.51 0.51 -2.73 117.35 120.32 1xk9 s TYR 512 Ca 0.31 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 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 0.12 0.21 -0.12 -0.98 -1.11 0.00 0.00 175.55 173.67 1xk9 s ARG 513 N -2.59 0.91 0.07 -0.62 1.70 0.37 0.08 118.95 118.86 1xk9 s ARG 513 Ca 0.10 -0.53 0.02 0.00 -0.47 0.00 0.00 55.73 54.85 1xk9 s ARG 513 Cb -0.06 -0.89 -0.03 0.00 -0.57 0.00 0.00 34.95 33.40 1xk9 s ARG 513 CO 0.04 0.23 -0.07 -0.08 -1.08 0.00 0.00 175.30 174.35 1xk9 s THR 514 N -0.49 0.56 -0.38 4.99 -1.32 0.34 -4.47 115.64 114.87 1xk9 s THR 514 Ca 0.03 -1.49 0.22 0.00 -1.21 0.00 0.00 61.69 59.24 1xk9 s THR 514 Cb -0.06 -1.12 0.30 0.00 -1.51 0.00 0.00 72.50 70.11 1xk9 s THR 514 CO 0.00 -0.65 1.59 0.28 -2.21 0.00 0.00 174.62 173.64 1xk9 h SER 515 N 3.75 0.00 -4.16 8.08 0.02 -2.00 -3.38 113.55 115.85 1xk9 h SER 515 Ca -0.35 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.11 1xk9 h SER 515 Cb 1.18 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.77 1xk9 h SER 515 CO 0.53 0.08 0.38 -0.76 -1.14 0.00 0.00 176.83 175.92 1xk9 s LEU 516 N -6.25 3.61 -0.05 5.07 2.01 -1.26 -4.61 118.68 117.20 1xk9 s LEU 516 Ca 0.06 1.82 -0.30 0.00 0.01 0.00 0.00 54.13 55.72 1xk9 s LEU 516 Cb 0.05 -4.54 -0.04 0.00 0.01 0.00 0.00 46.19 41.68 1xk9 s LEU 516 CO 0.68 -0.99 1.31 -0.89 1.01 0.00 0.00 176.35 177.46 1xk9 s THR 517 N -2.34 4.02 0.00 5.49 2.01 -1.26 -3.91 115.64 119.65 1xk9 s THR 517 Ca 0.64 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.99 1xk9 s THR 517 Cb -0.15 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1xk9 s THR 517 CO 0.32 -0.03 0.31 0.18 -0.69 0.00 0.00 174.62 174.71 1xk9 n LEU 518 N 5.58 0.44 -2.99 4.42 4.77 -0.93 -4.20 117.00 124.09 1xk9 n LEU 518 Ca 0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1xk9 n LEU 518 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1xk9 n LEU 518 CO 0.57 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 177.15 1xk9 n ALA 519 N -1.09 0.64 -3.61 -1.18 0.00 -1.26 -4.62 120.51 109.39 1xk9 n ALA 519 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1xk9 n ALA 519 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 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 2.94 -2.03 1.00 0.00 0.00 -1.26 -4.87 121.76 117.53 1xk9 s ALA 520 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1xk9 s ALA 520 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1xk9 s ALA 520 CO 0.00 -0.30 0.00 -2.30 0.00 0.00 0.00 175.76 173.16 1xk9 n PRO 521 N 0.56 -1.45 0.00 0.00 -0.02 -1.26 -3.58 135.00 129.25 1xk9 n PRO 521 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1xk9 n PRO 521 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 1xk9 n PRO 521 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xk9 n GLU 522 N -1.65 0.00 -0.00 -0.52 2.13 -1.26 -4.34 120.64 115.00 1xk9 n GLU 522 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1xk9 n GLU 522 Cb 0.00 -0.45 -0.14 0.00 0.27 0.00 0.00 31.44 31.12 1xk9 n GLU 522 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xk9 n ALA 523 N 0.00 3.54 -0.02 4.31 0.00 -1.24 -4.50 120.51 122.60 1xk9 n ALA 523 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 1xk9 n ALA 523 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1xk9 n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xk9 h ALA 524 N 2.39 -0.13 -1.00 0.00 0.00 -1.76 0.15 119.26 118.92 1xk9 h ALA 524 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1xk9 h ALA 524 Cb 0.80 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1xk9 h ALA 524 CO 0.00 -0.65 0.65 0.78 0.00 0.00 0.00 179.25 180.02 1xk9 h GLY 525 N -0.24 1.50 0.98 0.00 0.00 -1.96 -1.12 103.07 102.22 1xk9 h GLY 525 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1xk9 h GLY 525 CO -0.33 0.37 -0.04 -2.09 0.00 0.00 0.00 176.54 174.45 1xk9 h GLU 526 N 1.20 0.80 -0.45 4.80 4.57 -1.63 -2.25 114.58 121.61 1xk9 h GLU 526 Ca 0.42 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1xk9 h GLU 526 Cb 0.11 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1xk9 h GLU 526 CO -0.16 0.88 0.16 0.28 -1.18 0.00 0.00 179.01 178.99 1xk9 h VAL 527 N 0.63 1.22 -0.97 0.32 2.07 -0.55 -1.29 116.25 117.68 1xk9 h VAL 527 Ca 0.12 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1xk9 h VAL 527 Cb 0.55 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1xk9 h VAL 527 CO 0.03 0.26 0.64 -0.33 0.02 0.00 0.00 177.57 178.18 1xk9 h GLU 528 N 0.60 1.26 -0.49 1.57 5.08 -1.13 0.36 114.58 121.82 1xk9 h GLU 528 Ca 0.15 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1xk9 h GLU 528 Cb 0.24 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xk9 h GLU 528 CO -0.01 0.83 0.09 -0.09 -1.00 0.00 0.00 179.01 178.83 1xk9 h ARG 529 N 1.30 0.81 -0.17 2.33 2.43 -1.20 0.16 114.38 120.04 1xk9 h ARG 529 Ca 0.36 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1xk9 h ARG 529 Cb -0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1xk9 h ARG 529 CO -0.08 0.81 0.10 1.25 -1.51 0.00 0.00 179.97 180.54 1xk9 h LEU 530 N 0.69 0.20 -0.55 3.80 5.85 -0.02 -2.84 115.31 122.44 1xk9 h LEU 530 Ca 0.15 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xk9 h LEU 530 Cb 0.38 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1xk9 h LEU 530 CO 0.01 0.17 -0.08 2.30 -0.34 0.00 0.00 178.44 180.50 1xk9 n ILE 531 N -4.95 0.00 -2.10 4.05 -6.64 0.11 -4.95 119.36 104.88 1xk9 n ILE 531 Ca -0.04 -0.14 -0.13 0.00 -1.77 0.00 0.00 62.75 60.66 1xk9 n ILE 531 Cb 0.04 0.18 -0.02 0.00 -1.44 0.00 0.00 39.64 38.41 1xk9 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1xk9 n GLY 532 N 1.21 0.11 3.59 3.28 0.00 0.51 -4.99 105.19 108.89 1xk9 n GLY 532 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.64 -0.17 0.52 1.61 -3.43 -0.91 -5.03 115.29 105.24 1xk9 s HIS 533 Ca 0.00 0.07 -0.20 0.00 -0.80 0.00 0.00 55.06 54.13 1xk9 s HIS 533 Cb 0.00 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.62 1xk9 s HIS 533 CO 0.00 -0.34 1.13 -2.14 -2.00 0.00 0.00 174.74 171.39 1xk9 s PRO 534 N -2.64 3.45 0.96 -0.38 0.02 -1.26 -4.50 135.00 130.64 1xk9 s PRO 534 Ca 0.09 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 62.62 1xk9 s PRO 534 Cb -0.00 -2.08 0.17 0.00 0.02 0.00 0.00 34.50 32.60 1xk9 s PRO 534 CO -0.05 -0.77 1.09 -0.51 -0.33 0.00 0.00 177.00 176.43 1xk9 s LEU 535 N -3.64 1.89 1.03 -5.54 1.43 -1.26 -4.74 118.68 107.85 1xk9 s LEU 535 Ca 0.71 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1xk9 s LEU 535 Cb -0.24 -3.68 0.20 0.00 0.03 0.00 0.00 46.19 42.50 1xk9 s LEU 535 CO 0.28 -2.99 1.07 -2.16 0.23 0.00 0.00 176.35 172.79 1xk9 s PRO 536 N -4.90 0.19 0.56 1.29 0.04 -1.23 -4.98 135.00 125.97 1xk9 s PRO 536 Ca 0.65 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 1xk9 s PRO 536 Cb -0.19 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1xk9 s PRO 536 CO 0.58 -2.98 1.24 -0.51 0.04 0.00 0.00 177.00 175.37 1xk9 s LEU 537 N -6.71 3.77 0.00 -3.56 1.43 -1.26 -5.03 118.68 107.32 1xk9 s LEU 537 Ca 0.66 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 1xk9 s LEU 537 Cb -0.21 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1xk9 s LEU 537 CO 0.60 -1.49 0.00 0.54 0.23 0.00 0.00 176.35 176.23 1xk9 n ARG 538 N -1.28 0.00 -1.89 1.70 1.74 -1.26 -4.17 116.66 111.50 1xk9 n ARG 538 Ca 0.12 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.80 1xk9 n ARG 538 Cb 0.48 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.91 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 8.11 -3.89 0.55 0.00 -1.26 -3.39 117.00 117.12 1xk9 n LEU 539 Ca 0.00 -4.80 -0.08 0.00 0.00 0.00 0.00 56.01 51.13 1xk9 n LEU 539 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 43.42 42.02 1xk9 n LEU 539 CO 0.00 2.06 0.41 1.51 0.00 0.00 0.00 177.39 181.37 1xk9 s ASP 540 N 0.61 -0.15 0.06 1.96 3.84 -1.26 -4.67 116.67 117.07 1xk9 s ASP 540 Ca 0.56 -0.79 -0.05 0.00 -0.00 0.00 0.00 52.55 52.27 1xk9 s ASP 540 Cb 0.19 0.72 -0.02 0.00 -1.38 0.00 0.00 42.92 42.43 1xk9 s ASP 540 CO -0.09 -1.36 0.09 0.00 -0.00 0.00 0.00 175.17 173.81 1xk9 s ALA 541 N -3.66 0.06 -0.02 2.11 0.00 0.44 -0.84 121.76 119.86 1xk9 s ALA 541 Ca 0.15 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1xk9 s ALA 541 Cb -0.05 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1xk9 s ALA 541 CO 0.09 -0.42 -0.09 -1.50 0.00 0.00 0.00 175.76 173.83 1xk9 s ILE 542 N -3.61 0.76 -0.09 0.00 1.10 -1.00 -0.36 121.20 118.00 1xk9 s ILE 542 Ca 0.04 -0.38 0.03 0.00 -0.51 0.00 0.00 60.65 59.82 1xk9 s ILE 542 Cb 0.05 -0.66 0.01 0.00 0.15 0.00 0.00 42.46 42.01 1xk9 s ILE 542 CO -0.09 0.23 -0.19 -0.89 -2.11 0.00 0.00 174.94 171.88 1xk9 s THR 543 N -0.03 1.72 0.20 4.00 2.01 0.11 -1.56 115.64 122.08 1xk9 s THR 543 Ca 0.01 -0.81 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1xk9 s THR 543 Cb -0.06 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 70.99 1xk9 s THR 543 CO -0.00 0.48 0.90 -0.83 -0.69 0.00 0.00 174.62 174.48 1xk9 s GLY 544 N 0.55 -0.14 0.53 4.40 0.00 -0.80 -0.50 107.32 111.36 1xk9 s GLY 544 Ca -0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.29 1xk9 s GLY 544 CO 0.05 0.13 1.32 -4.14 0.00 0.00 0.00 173.10 170.46 1xk9 s PRO 545 N -3.31 3.25 0.39 2.90 0.02 -1.25 -1.06 135.00 135.93 1xk9 s PRO 545 Ca 0.13 2.13 -0.09 0.00 0.02 0.00 0.00 61.00 63.19 1xk9 s PRO 545 Cb -0.03 -2.27 -0.06 0.00 0.02 0.00 0.00 34.50 32.16 1xk9 s PRO 545 CO 0.04 -1.07 0.74 -1.83 -0.33 0.00 0.00 177.00 174.54 1xk9 s GLU 546 N -2.89 3.73 0.07 5.54 -1.05 -0.63 -2.19 118.70 121.28 1xk9 s GLU 546 Ca 0.70 0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 55.59 1xk9 s GLU 546 Cb -0.38 -2.43 -0.14 0.00 -0.44 0.00 0.00 34.13 30.74 1xk9 s GLU 546 CO 0.45 -0.01 1.47 1.05 0.95 0.00 0.00 175.26 179.16 1xk9 h GLU 547 N 1.22 -0.81 -4.24 -4.83 4.11 -1.91 -2.97 114.58 105.15 1xk9 h GLU 547 Ca -0.47 0.06 -0.75 0.00 0.07 0.00 0.00 59.36 58.27 1xk9 h GLU 547 Cb 1.19 0.18 -0.23 0.00 0.50 0.00 0.00 28.75 30.39 1xk9 h GLU 547 CO 0.64 -0.54 -0.12 -1.83 0.07 0.00 0.00 179.01 177.23 1xk9 s GLU 548 N -5.39 3.02 0.00 1.06 -1.05 -1.26 -4.32 118.70 110.76 1xk9 s GLU 548 Ca -0.15 -1.63 0.00 0.00 -0.15 0.00 0.00 54.97 53.04 1xk9 s GLU 548 Cb 0.04 -4.30 0.00 0.00 -0.44 0.00 0.00 34.13 29.43 1xk9 s GLU 548 CO 0.50 -1.39 0.00 0.41 0.95 0.00 0.00 175.26 175.74 1xk9 n GLY 549 N 5.23 4.26 3.09 -3.83 0.00 -1.26 -4.84 105.19 107.84 1xk9 n GLY 549 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.81 3.74 -0.02 0.00 -1.12 -4.98 105.19 103.61 1xk9 n GLY 550 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 4.68 0.09 1.61 0.52 -1.26 -4.59 118.95 119.83 1xk9 s ARG 551 Ca 0.00 1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 56.50 1xk9 s ARG 551 Cb 0.00 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 1xk9 s ARG 551 CO 0.00 0.21 1.41 -0.51 0.02 0.00 0.00 175.30 176.43 1xk9 s LEU 552 N -0.50 4.36 0.14 2.53 1.43 -1.26 -1.61 118.68 123.77 1xk9 s LEU 552 Ca 0.47 2.30 0.09 0.00 -1.03 0.00 0.00 54.13 55.95 1xk9 s LEU 552 Cb -0.27 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1xk9 s LEU 552 CO 0.33 -0.68 -0.21 -1.83 0.23 0.00 0.00 176.35 174.20 1xk9 s GLU 553 N 1.42 1.25 -0.05 1.70 -1.05 -0.23 -4.23 118.70 117.51 1xk9 s GLU 553 Ca 0.65 -1.31 0.06 0.00 -0.15 0.00 0.00 54.97 54.22 1xk9 s GLU 553 Cb -0.36 -1.48 -0.01 0.00 -0.44 0.00 0.00 34.13 31.84 1xk9 s GLU 553 CO 0.30 0.33 -0.24 0.99 0.95 0.00 0.00 175.26 177.59 1xk9 s THR 554 N -1.52 1.94 -0.17 1.83 2.01 0.60 -1.91 115.64 118.43 1xk9 s THR 554 Ca 0.12 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1xk9 s THR 554 Cb -0.08 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1xk9 s THR 554 CO 0.06 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.75 1xk9 s ILE 555 N -0.13 2.61 -0.21 1.82 1.01 -0.60 -0.17 121.20 125.53 1xk9 s ILE 555 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1xk9 s ILE 555 Cb -0.13 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1xk9 s ILE 555 CO 0.03 0.51 0.22 -0.76 0.00 0.00 0.00 174.94 174.94 1xk9 s LEU 556 N 0.98 4.17 0.56 2.97 1.43 0.11 -2.37 118.68 126.54 1xk9 s LEU 556 Ca -0.02 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 1xk9 s LEU 556 Cb -0.15 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1xk9 s LEU 556 CO -0.03 0.08 1.19 0.61 0.23 0.00 0.00 176.35 178.42 1xk9 n GLY 557 N 3.86 0.28 0.36 -3.19 0.00 -0.02 -0.18 105.19 106.31 1xk9 n GLY 557 Ca -0.13 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 1.01 1.04 -0.81 1.61 4.06 -1.72 0.88 115.95 122.02 1xk9 h TRP 558 Ca -0.49 0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.58 1xk9 h TRP 558 Cb 1.33 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 29.11 1xk9 h TRP 558 CO 0.42 0.35 0.53 -1.35 -3.56 0.00 0.00 178.44 174.82 1xk9 h PRO 559 N 0.85 0.74 0.00 0.49 0.11 -1.84 -0.06 132.00 132.29 1xk9 h PRO 559 Ca 0.51 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.53 1xk9 h PRO 559 Cb 0.69 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1xk9 h PRO 559 CO -0.29 0.49 -0.19 1.25 -0.21 0.00 0.00 178.00 179.05 1xk9 h LEU 560 N 0.76 0.17 -0.94 2.35 6.46 -1.00 -3.28 115.31 119.83 1xk9 h LEU 560 Ca 0.37 -0.80 0.13 0.00 -0.12 0.00 0.00 57.88 57.47 1xk9 h LEU 560 Cb 0.43 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 1xk9 h LEU 560 CO -0.15 0.94 0.56 0.00 -0.62 0.00 0.00 178.44 179.18 1xk9 h ALA 561 N 0.23 1.42 0.00 1.25 0.00 -0.52 0.18 119.26 121.82 1xk9 h ALA 561 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xk9 h ALA 561 Cb 0.97 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xk9 h ALA 561 CO 0.04 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.78 1xk9 n GLU 562 N -4.71 0.45 0.00 0.00 1.02 -0.07 -1.53 120.64 115.80 1xk9 n GLU 562 Ca 0.18 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.43 1xk9 n GLU 562 Cb 0.38 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1xk9 n GLU 562 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1xk9 n ARG 563 N -1.08 1.11 -1.95 3.49 0.63 0.64 -4.80 116.66 114.69 1xk9 n ARG 563 Ca 0.11 -1.37 -0.30 0.00 -0.92 0.00 0.00 57.85 55.37 1xk9 n ARG 563 Cb 0.08 -1.28 0.03 0.00 0.45 0.00 0.00 32.46 31.73 1xk9 n ARG 563 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1xk9 s THR 564 N -1.27 4.14 -0.14 5.15 -4.23 -0.58 -4.54 115.64 114.17 1xk9 s THR 564 Ca 0.17 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 1xk9 s THR 564 Cb 0.12 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.30 1xk9 s THR 564 CO 0.19 -0.87 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.51 1xk9 s VAL 565 N -3.22 1.98 -0.01 2.29 1.01 -0.46 -4.73 120.40 117.26 1xk9 s VAL 565 Ca 0.56 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1xk9 s VAL 565 Cb -0.11 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1xk9 s VAL 565 CO 0.52 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 175.24 1xk9 s VAL 566 N 0.95 2.41 0.15 2.92 1.01 -1.26 -1.49 120.40 125.09 1xk9 s VAL 566 Ca -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1xk9 s VAL 566 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1xk9 s VAL 566 CO -0.04 0.52 -0.03 0.27 0.00 0.00 0.00 175.10 175.81 1xk9 s ILE 567 N -0.71 0.78 0.50 2.22 -4.36 -0.80 -4.55 121.20 114.29 1xk9 s ILE 567 Ca 0.11 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.31 1xk9 s ILE 567 Cb -0.10 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.58 1xk9 s ILE 567 CO 0.01 -0.62 1.15 -2.84 0.24 0.00 0.00 174.94 172.87 1xk9 s PRO 568 N -3.86 3.57 0.41 0.37 0.02 -1.26 -0.02 135.00 134.23 1xk9 s PRO 568 Ca 0.20 1.69 -0.08 0.00 0.02 0.00 0.00 61.00 62.82 1xk9 s PRO 568 Cb 0.05 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1xk9 s PRO 568 CO 0.01 -0.69 0.74 0.45 -0.33 0.00 0.00 177.00 177.19 1xk9 s SER 569 N -1.57 6.45 0.00 2.53 0.15 -0.47 -4.58 113.70 116.21 1xk9 s SER 569 Ca 0.68 1.03 0.28 0.00 0.70 0.00 0.00 55.95 58.64 1xk9 s SER 569 Cb -0.26 -2.28 1.02 0.00 -1.71 0.00 0.00 66.02 62.79 1xk9 s SER 569 CO 0.31 -0.41 1.73 0.00 1.20 0.00 0.00 173.24 176.06 1xk9 n ALA 570 N -1.48 2.78 -2.66 5.45 0.00 -1.26 -4.77 120.51 118.58 1xk9 n ALA 570 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1xk9 n ALA 570 Cb 0.54 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.24 4.80 0.34 0.00 1.01 -1.26 -4.74 121.20 119.11 1xk9 s ILE 571 Ca 0.33 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.68 1xk9 s ILE 571 Cb 0.20 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1xk9 s ILE 571 CO 0.42 -0.08 0.58 -2.16 0.00 0.00 0.00 174.94 173.71 1xk9 s PRO 572 N 2.75 3.57 0.26 2.79 0.04 -1.26 -4.45 135.00 138.69 1xk9 s PRO 572 Ca 0.39 -0.09 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 1xk9 s PRO 572 Cb -0.16 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1xk9 s PRO 572 CO 0.09 0.13 0.47 0.95 0.04 0.00 0.00 177.00 178.68 1xk9 s THR 573 N -2.26 5.12 -0.38 1.26 -4.23 -1.26 -4.98 115.64 108.91 1xk9 s THR 573 Ca 0.43 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.52 1xk9 s THR 573 Cb -0.10 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 69.99 1xk9 s THR 573 CO 0.34 -0.29 0.51 -0.62 -0.54 0.00 0.00 174.62 174.02 1xk9 s ASP 574 N -3.31 6.28 0.58 3.99 -1.08 -1.26 -4.89 116.67 116.97 1xk9 s ASP 574 Ca 0.41 -0.24 0.36 0.00 -0.52 0.00 0.00 52.55 52.55 1xk9 s ASP 574 Cb -0.11 -2.26 1.68 0.00 -1.46 0.00 0.00 42.92 40.77 1xk9 s ASP 574 CO 0.30 -0.54 2.11 1.55 0.52 0.00 0.00 175.17 179.11 1xk9 h PRO 575 N 8.59 0.00 -0.20 4.34 0.13 -1.97 -1.49 132.00 141.40 1xk9 h PRO 575 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xk9 h PRO 575 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xk9 h PRO 575 CO 0.79 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.12 1xk9 n ARG 576 N -3.16 2.42 -2.68 0.86 1.74 -1.26 -4.47 116.66 110.12 1xk9 n ARG 576 Ca -0.01 -2.11 -0.09 0.00 -0.77 0.00 0.00 57.85 54.88 1xk9 n ARG 576 Cb 0.23 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1xk9 n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xk9 n ASN 577 N 1.43 1.04 -4.76 0.55 5.15 -0.58 -5.09 115.26 113.00 1xk9 n ASN 577 Ca 0.17 -2.69 -0.41 0.00 -0.60 0.00 0.00 54.58 51.04 1xk9 n ASN 577 Cb 0.61 -0.35 -0.01 0.00 -0.53 0.00 0.00 39.78 39.49 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 -2.73 2.26 0.00 3.44 1.01 -1.12 -1.53 120.40 121.74 1xk9 s VAL 578 Ca 0.27 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1xk9 s VAL 578 Cb 0.45 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1xk9 s VAL 578 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1xk9 n GLY 579 N 1.61 3.13 3.70 4.51 0.00 -1.26 -5.03 105.19 111.85 1xk9 n GLY 579 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.92 1.60 0.55 -0.02 0.00 -0.58 -5.02 107.32 101.93 1xk9 s GLY 580 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1xk9 s GLY 580 CO 0.00 0.39 0.93 0.99 0.00 0.00 0.00 173.10 175.41 1xk9 s ASP 581 N -3.39 6.31 0.05 1.64 1.01 -1.26 -4.91 116.67 116.12 1xk9 s ASP 581 Ca 0.64 1.27 -0.30 0.00 0.71 0.00 0.00 52.55 54.87 1xk9 s ASP 581 Cb -0.18 -2.40 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1xk9 s ASP 581 CO 0.57 -0.71 1.76 -0.22 0.21 0.00 0.00 175.17 176.79 1xk9 s LEU 582 N -4.80 4.38 -0.38 1.23 2.96 -1.26 -4.93 118.68 115.88 1xk9 s LEU 582 Ca 0.53 2.54 -0.29 0.00 -0.22 0.00 0.00 54.13 56.69 1xk9 s LEU 582 Cb -0.11 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1xk9 s LEU 582 CO 0.47 -0.96 1.35 -0.62 -1.32 0.00 0.00 176.35 175.27 1xk9 s ASP 583 N 3.11 6.47 0.38 3.68 -1.08 -1.26 -4.89 116.67 123.08 1xk9 s ASP 583 Ca 0.79 0.91 0.12 0.00 -0.52 0.00 0.00 52.55 53.84 1xk9 s ASP 583 Cb -0.40 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.43 1xk9 s ASP 583 CO 0.35 -1.31 1.87 1.55 0.52 0.00 0.00 175.17 178.15 1xk9 h PRO 584 N 10.13 0.57 0.00 4.34 0.13 -1.99 0.24 132.00 145.42 1xk9 h PRO 584 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xk9 h PRO 584 Cb 1.10 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1xk9 h PRO 584 CO 1.07 0.37 0.00 0.43 -0.23 0.00 0.00 178.00 179.65 1xk9 n SER 585 N -4.54 0.00 -0.45 1.44 7.64 -1.26 -2.00 113.62 114.45 1xk9 n SER 585 Ca 0.17 -0.05 0.13 0.00 1.01 0.00 0.00 58.87 60.14 1xk9 n SER 585 Cb 0.53 -0.25 0.39 0.00 -1.01 0.00 0.00 64.21 63.87 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 -1.25 1.53 -4.63 6.43 3.41 0.07 -4.83 113.62 114.36 1xk9 n SER 586 Ca 0.09 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 1xk9 n SER 586 Cb 0.13 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.21 4.81 0.14 -1.33 1.01 -0.85 -4.48 121.20 118.29 1xk9 s ILE 587 Ca 0.31 1.35 -0.31 0.00 0.00 0.00 0.00 60.65 61.99 1xk9 s ILE 587 Cb 0.20 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 1xk9 s ILE 587 CO 0.41 -0.17 1.77 -2.84 0.00 0.00 0.00 174.94 174.11 1xk9 s PRO 588 N 2.91 4.14 0.46 2.79 0.02 -1.26 -4.85 135.00 139.21 1xk9 s PRO 588 Ca 0.33 2.56 0.15 0.00 0.02 0.00 0.00 61.00 64.06 1xk9 s PRO 588 Cb -0.15 -3.45 1.11 0.00 0.02 0.00 0.00 34.50 32.04 1xk9 s PRO 588 CO 0.10 -0.80 2.03 0.38 -0.33 0.00 0.00 177.00 178.39 1xk9 h ASP 589 N 8.05 0.25 0.43 2.53 -0.00 -1.96 0.69 116.42 126.41 1xk9 h ASP 589 Ca -0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.52 1xk9 h ASP 589 Cb 1.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 40.48 1xk9 h ASP 589 CO 0.95 0.16 -0.30 0.11 -0.00 0.00 0.00 179.24 180.15 1xk9 h LYS 590 N 0.28 0.00 0.00 4.15 1.79 -1.99 0.96 116.57 121.76 1xk9 h LYS 590 Ca 0.19 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.42 1xk9 h LYS 590 Cb 0.40 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1xk9 h LYS 590 CO -0.04 0.30 -0.99 1.49 -1.08 0.00 0.00 179.45 179.14 1xk9 h GLU 591 N 0.00 0.52 -0.24 3.15 4.81 -1.25 -2.97 114.58 118.60 1xk9 h GLU 591 Ca -0.00 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1xk9 h GLU 591 Cb 0.60 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1xk9 h GLU 591 CO 0.04 1.19 0.01 0.37 -0.73 0.00 0.00 179.01 179.89 1xk9 h GLN 592 N 0.29 0.35 -0.21 1.92 5.75 -0.76 -2.00 115.11 120.45 1xk9 h GLN 592 Ca -0.10 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 1xk9 h GLN 592 Cb 1.63 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 1xk9 h GLN 592 CO 0.18 0.38 -0.04 0.00 -2.65 0.00 0.00 178.83 176.70 1xk9 h ALA 593 N 1.67 1.54 -0.55 3.38 0.00 -0.67 -2.71 119.26 121.91 1xk9 h ALA 593 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xk9 h ALA 593 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xk9 h ALA 593 CO 0.00 0.33 0.00 0.44 0.00 0.00 0.00 179.25 180.03 1xk9 n ILE 594 N -4.32 2.55 -1.08 0.00 -5.35 -0.76 -4.58 119.36 105.82 1xk9 n ILE 594 Ca 0.00 -1.43 0.02 0.00 -0.27 0.00 0.00 62.75 61.06 1xk9 n ILE 594 Cb 0.22 -0.20 0.28 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.56 4.20 -4.77 7.28 7.64 -1.02 -4.95 113.62 122.57 1xk9 n SER 595 Ca 0.27 -3.20 -0.40 0.00 1.01 0.00 0.00 58.87 56.55 1xk9 n SER 595 Cb 1.11 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.95 3.32 0.20 -0.43 0.00 -1.26 -4.99 121.76 115.66 1xk9 s ALA 596 Ca 0.48 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1xk9 s ALA 596 Cb 0.39 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1xk9 s ALA 596 CO 0.10 -0.62 0.35 -0.51 0.00 0.00 0.00 175.76 175.07 1xk9 s LEU 597 N -2.15 4.29 0.73 0.00 1.43 -1.26 -4.80 118.68 116.92 1xk9 s LEU 597 Ca 0.53 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.71 1xk9 s LEU 597 Cb -0.36 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 42.93 1xk9 s LEU 597 CO 0.47 -0.03 1.07 -2.84 0.23 0.00 0.00 176.35 175.25 1xk9 s PRO 598 N -3.59 2.61 -0.07 1.29 0.02 -1.26 -5.00 135.00 129.00 1xk9 s PRO 598 Ca 0.35 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 1xk9 s PRO 598 Cb -0.10 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1xk9 s PRO 598 CO 0.29 -1.34 0.99 -0.51 -0.33 0.00 0.00 177.00 176.10 1xk9 s ASP 599 N -3.66 7.28 0.60 2.53 1.11 -1.26 -5.05 116.67 118.23 1xk9 s ASP 599 Ca 0.59 1.57 0.05 0.00 0.18 0.00 0.00 52.55 54.94 1xk9 s ASP 599 Cb -0.15 -2.56 0.09 0.00 1.07 0.00 0.00 42.92 41.37 1xk9 s ASP 599 CO 0.55 -0.37 0.83 -0.31 1.18 0.00 0.00 175.17 177.06 1xk9 s TYR 600 N 1.62 1.73 0.08 4.23 2.02 -1.26 -5.09 117.35 120.68 1xk9 s TYR 600 Ca 0.49 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1xk9 s TYR 600 Cb -0.19 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 1xk9 s TYR 600 CO 0.22 -1.24 0.19 0.00 -1.57 0.00 0.00 175.55 173.15 1xk9 s ALA 601 N -2.80 3.90 -1.09 3.71 0.00 -1.11 -4.87 121.76 119.50 1xk9 s ALA 601 Ca 0.62 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.75 1xk9 s ALA 601 Cb -0.06 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.40 1xk9 s ALA 601 CO 0.40 0.76 0.78 0.45 0.00 0.00 0.00 175.76 178.15