#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f51 n SER 413 N 0.00 0.00 -0.14 4.38 2.88 -1.26 -5.16 113.62 114.32 1f51 n SER 413 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1f51 n SER 413 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1f51 n SER 413 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1f51 n ASP 414 N 0.00 -0.74 0.00 -3.46 8.00 -1.26 -4.91 116.55 114.18 1f51 n ASP 414 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1f51 n ASP 414 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1f51 n ASP 414 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1f51 n THR 415 N -1.91 0.00 0.28 -3.53 -1.04 -1.26 -2.91 114.28 103.90 1f51 n THR 415 Ca -0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1f51 n THR 415 Cb 0.05 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.52 1f51 n THR 415 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f51 n ALA 416 N 0.00 2.80 -0.07 2.41 0.00 -1.26 -4.29 120.51 120.10 1f51 n ALA 416 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1f51 n ALA 416 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1f51 n ALA 416 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1f51 h LEU 417 N 0.00 0.00 -0.89 0.00 5.85 -1.88 -3.36 115.31 115.03 1f51 h LEU 417 Ca 0.00 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1f51 h LEU 417 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1f51 h LEU 417 CO 0.00 0.75 0.91 0.74 -0.34 0.00 0.00 178.44 180.50 1f51 h THR 418 N -1.00 0.04 0.07 1.05 2.02 -1.80 0.11 112.91 113.40 1f51 h THR 418 Ca -0.03 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.87 1f51 h THR 418 Cb 0.45 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1f51 h THR 418 CO -0.02 0.00 -1.38 -1.13 0.37 0.00 0.00 175.52 173.36 1f51 h ASN 419 N 0.00 0.22 -0.02 4.18 -0.00 -1.75 -3.30 115.58 114.91 1f51 h ASN 419 Ca 0.19 -0.29 -0.08 0.00 -0.00 0.00 0.00 56.30 56.11 1f51 h ASN 419 Cb 2.01 -0.07 0.01 0.00 -0.00 0.00 0.00 38.32 40.26 1f51 h ASN 419 CO -0.00 1.24 -0.32 -0.08 -0.00 0.00 0.00 177.43 178.27 1f51 h GLU 420 N 0.04 0.25 0.00 6.67 4.57 -0.97 -2.32 114.58 122.83 1f51 h GLU 420 Ca -0.17 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1f51 h GLU 420 Cb 1.94 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.59 1f51 h GLU 420 CO 0.14 0.93 0.44 1.28 -1.18 0.00 0.00 179.01 180.62 1f51 n LEU 421 N -4.45 0.18 -0.11 1.64 4.77 -1.04 0.24 117.00 118.24 1f51 n LEU 421 Ca -0.09 0.40 -0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1f51 n LEU 421 Cb 0.52 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1f51 n LEU 421 CO 0.41 -0.46 -1.21 -0.38 -1.33 0.00 0.00 177.39 174.42 1f51 n ILE 422 N -1.81 1.22 0.22 -0.08 -0.00 -1.15 -3.44 119.36 114.33 1f51 n ILE 422 Ca -0.00 -0.45 0.07 0.00 -0.00 0.00 0.00 62.75 62.37 1f51 n ILE 422 Cb 0.45 -1.32 0.49 0.00 -0.00 0.00 0.00 39.64 39.26 1f51 n ILE 422 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 1f51 h HIS 423 N -0.10 0.00 0.02 1.39 3.86 0.22 0.87 115.15 121.41 1f51 h HIS 423 Ca -0.49 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.47 1f51 h HIS 423 Cb 1.71 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.19 1f51 h HIS 423 CO 0.01 0.26 -1.04 -0.07 0.86 0.00 0.00 177.93 177.95 1f51 h LEU 424 N 0.00 0.74 -0.12 2.43 3.38 0.29 -2.87 115.31 119.16 1f51 h LEU 424 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1f51 h LEU 424 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1f51 h LEU 424 CO 0.03 1.42 0.00 -0.07 0.09 0.00 0.00 178.44 179.91 1f51 h LEU 425 N 0.30 0.00 0.63 1.67 3.38 -1.42 -2.95 115.31 116.93 1f51 h LEU 425 Ca -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1f51 h LEU 425 Cb 1.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.45 1f51 h LEU 425 CO 0.19 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 179.65 1f51 h GLY 426 N 4.14 -0.88 0.33 0.83 0.00 0.95 -1.97 103.07 106.47 1f51 h GLY 426 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1f51 h GLY 426 CO 0.00 -0.32 -0.45 0.45 0.00 0.00 0.00 176.54 176.22 1f51 h HIS 427 N -1.08 -1.25 -1.01 5.60 3.86 -1.53 -1.41 115.15 118.33 1f51 h HIS 427 Ca -0.09 0.03 0.41 0.00 -1.16 0.00 0.00 60.37 59.56 1f51 h HIS 427 Cb 0.69 0.52 -0.17 0.00 1.06 0.00 0.00 27.41 29.51 1f51 h HIS 427 CO 0.00 -0.56 0.56 1.03 0.86 0.00 0.00 177.93 179.82 1f51 h SER 428 N -0.74 0.34 -0.02 2.45 0.87 -1.55 1.10 113.55 116.00 1f51 h SER 428 Ca -0.00 0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1f51 h SER 428 Cb 0.73 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1f51 h SER 428 CO -0.20 -0.39 -0.23 -0.09 -0.53 0.00 0.00 176.83 175.39 1f51 h ARG 429 N 0.05 0.42 0.01 2.24 2.43 -0.45 -2.88 114.38 116.19 1f51 h ARG 429 Ca 0.83 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.86 1f51 h ARG 429 Cb 2.19 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 1f51 h ARG 429 CO -0.74 0.63 -0.00 1.25 -1.51 0.00 0.00 179.97 179.60 1f51 h HIS 430 N 0.38 -0.01 -0.72 2.20 2.76 0.14 -2.25 115.15 117.65 1f51 h HIS 430 Ca 0.06 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 1f51 h HIS 430 Cb 0.61 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.48 1f51 h HIS 430 CO 0.02 0.66 -0.50 -0.44 -1.30 0.00 0.00 177.93 176.37 1f51 h ASP 431 N -0.69 -1.79 -0.62 3.26 3.45 -1.27 1.76 116.42 120.51 1f51 h ASP 431 Ca -0.00 0.26 0.02 0.00 0.43 0.00 0.00 57.03 57.75 1f51 h ASP 431 Cb 0.67 0.78 -0.04 0.00 -0.56 0.00 0.00 39.33 40.18 1f51 h ASP 431 CO 0.00 -0.24 0.39 -0.50 -1.57 0.00 0.00 179.24 177.32 1f51 h TRP 432 N -0.09 0.73 -0.13 4.55 4.06 -1.60 -1.40 115.95 122.06 1f51 h TRP 432 Ca 0.12 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.12 1f51 h TRP 432 Cb 0.40 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 1f51 h TRP 432 CO -0.93 0.43 -0.09 0.52 -3.56 0.00 0.00 178.44 174.80 1f51 h MET 433 N 0.77 -0.09 -0.99 0.49 2.86 -0.16 -1.29 114.93 116.52 1f51 h MET 433 Ca 0.25 0.01 0.34 0.00 -2.06 0.00 0.00 59.70 58.23 1f51 h MET 433 Cb -0.00 0.02 -0.16 0.00 0.06 0.00 0.00 31.60 31.52 1f51 h MET 433 CO -0.09 -0.06 0.49 -0.91 1.06 0.00 0.00 176.91 177.39 1f51 h ASN 434 N -0.10 0.33 0.16 1.22 4.21 0.35 -1.93 115.58 119.82 1f51 h ASN 434 Ca 0.08 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.80 1f51 h ASN 434 Cb 0.22 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1f51 h ASN 434 CO -0.19 -0.25 -0.08 0.11 -1.29 0.00 0.00 177.43 175.73 1f51 h LYS 435 N 0.18 -0.20 -0.72 0.81 1.57 -0.29 -3.14 116.57 114.79 1f51 h LYS 435 Ca 0.74 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.75 1f51 h LYS 435 Cb 1.77 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 1f51 h LYS 435 CO -0.69 0.23 0.64 -0.07 -0.57 0.00 0.00 179.45 179.00 1f51 h LEU 436 N -0.84 0.00 -0.27 2.94 3.38 -0.89 1.00 115.31 120.63 1f51 h LEU 436 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1f51 h LEU 436 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1f51 h LEU 436 CO 0.04 0.00 0.17 1.56 0.09 0.00 0.00 178.44 180.29 1f51 h GLN 437 N 0.00 0.33 0.18 1.13 1.08 -1.34 0.47 115.11 116.96 1f51 h GLN 437 Ca 0.34 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1f51 h GLN 437 Cb 1.62 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.98 1f51 h GLN 437 CO -0.00 0.22 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.94 1f51 h LEU 438 N 0.34 -0.21 -0.79 1.46 3.38 0.94 -2.19 115.31 118.26 1f51 h LEU 438 Ca 0.10 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1f51 h LEU 438 Cb -0.02 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.64 1f51 h LEU 438 CO -0.04 -0.13 0.06 -0.38 0.09 0.00 0.00 178.44 178.04 1f51 n ILE 439 N -2.72 -0.33 0.45 1.22 5.41 -0.41 -0.68 119.36 122.29 1f51 n ILE 439 Ca -0.03 1.72 -0.19 0.00 1.00 0.00 0.00 62.75 65.25 1f51 n ILE 439 Cb 0.10 -2.54 -0.09 0.00 -0.71 0.00 0.00 39.64 36.39 1f51 n ILE 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1f51 h LYS 440 N 0.00 -1.08 -0.74 0.38 3.64 0.06 -0.52 116.57 118.31 1f51 h LYS 440 Ca 0.50 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1f51 h LYS 440 Cb 1.08 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1f51 h LYS 440 CO -0.73 -0.71 0.47 0.78 -2.27 0.00 0.00 179.45 176.99 1f51 h GLY 441 N -1.15 1.06 1.83 5.01 0.00 -0.24 0.52 103.07 110.09 1f51 h GLY 441 Ca -0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1f51 h GLY 441 CO 0.19 0.41 0.03 3.43 0.00 0.00 0.00 176.54 180.59 1f51 h ASN 442 N 1.01 0.20 0.44 0.19 4.21 -0.94 0.11 115.58 120.79 1f51 h ASN 442 Ca 0.27 -0.02 -0.15 0.00 1.21 0.00 0.00 56.30 57.61 1f51 h ASN 442 Cb -0.08 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1f51 h ASN 442 CO -0.05 0.22 -0.65 0.25 -1.29 0.00 0.00 177.43 175.91 1f51 h LEU 443 N 0.23 0.23 -0.50 1.61 7.12 0.35 -0.95 115.31 123.40 1f51 h LEU 443 Ca 0.06 -0.14 -0.17 0.00 0.13 0.00 0.00 57.88 57.76 1f51 h LEU 443 Cb 0.11 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1f51 h LEU 443 CO -0.00 0.82 -0.64 -1.28 -0.13 0.00 0.00 178.44 177.20 1f51 h SER 444 N 0.14 0.47 -0.31 1.25 0.87 0.53 -2.99 113.55 113.52 1f51 h SER 444 Ca -0.01 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1f51 h SER 444 Cb 1.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1f51 h SER 444 CO 0.10 0.99 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.24 1f51 h LEU 445 N 0.29 0.69 0.00 2.23 3.38 -0.68 -3.46 115.31 117.77 1f51 h LEU 445 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1f51 h LEU 445 Cb 1.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1f51 h LEU 445 CO 0.11 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1f51 n GLN 446 N -4.19 0.00 -0.44 1.13 6.02 -0.99 -4.98 117.38 113.92 1f51 n GLN 446 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 1f51 n GLN 446 Cb 0.33 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.53 1f51 n GLN 446 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1f51 n LYS 447 N -1.74 0.89 -0.29 -1.09 5.02 -0.40 -4.64 118.16 115.91 1f51 n LYS 447 Ca 0.00 -0.34 0.28 0.00 -2.02 0.00 0.00 58.31 56.23 1f51 n LYS 447 Cb 0.00 -1.57 0.51 0.00 -0.02 0.00 0.00 35.03 33.95 1f51 n LYS 447 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f51 n TYR 448 N 2.36 0.93 0.08 2.13 0.53 -1.26 -0.72 117.16 121.21 1f51 n TYR 448 Ca 0.15 0.94 -0.13 0.00 -1.02 0.00 0.00 57.90 57.84 1f51 n TYR 448 Cb 0.42 -1.35 -0.06 0.00 -1.03 0.00 0.00 39.34 37.32 1f51 n TYR 448 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1f51 h ASP 449 N 0.00 0.44 0.44 7.72 3.32 -1.96 -2.89 116.42 123.49 1f51 h ASP 449 Ca 0.73 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1f51 h ASP 449 Cb 2.00 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 1f51 h ASP 449 CO -0.61 1.20 -0.17 -0.09 -1.72 0.00 0.00 179.24 177.85 1f51 h ARG 450 N 0.17 0.00 0.00 3.56 1.12 -1.32 -2.31 114.38 115.60 1f51 h ARG 450 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1f51 h ARG 450 Cb 1.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.61 1f51 h ARG 450 CO 0.17 0.17 0.00 0.28 -3.11 0.00 0.00 179.97 177.48 1f51 n VAL 451 N -3.71 0.00 -0.36 0.20 0.31 -1.02 0.52 118.33 114.28 1f51 n VAL 451 Ca -0.02 1.14 0.04 0.00 -0.01 0.00 0.00 64.34 65.49 1f51 n VAL 451 Cb 0.29 -2.07 0.11 0.00 -0.91 0.00 0.00 33.84 31.26 1f51 n VAL 451 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1f51 n PHE 452 N -1.43 0.26 -0.07 3.52 3.01 -1.16 0.10 117.46 121.70 1f51 n PHE 452 Ca 0.00 1.19 -0.13 0.00 1.01 0.00 0.00 57.45 59.53 1f51 n PHE 452 Cb 0.00 -1.01 -0.07 0.00 -0.01 0.00 0.00 39.48 38.39 1f51 n PHE 452 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1f51 h GLU 453 N 0.00 -0.44 -0.47 -1.08 4.81 -1.37 -1.11 114.58 114.91 1f51 h GLU 453 Ca 0.43 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.79 1f51 h GLU 453 Cb 0.68 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.06 1f51 h GLU 453 CO -1.00 -0.29 -0.21 0.52 -0.73 0.00 0.00 179.01 177.31 1f51 h MET 454 N -0.45 -0.10 -0.14 1.92 2.86 0.60 -1.83 114.93 117.79 1f51 h MET 454 Ca 0.08 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1f51 h MET 454 Cb 0.63 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 1f51 h MET 454 CO -0.50 -0.07 -0.35 0.82 1.06 0.00 0.00 176.91 177.88 1f51 h ILE 455 N -0.10 0.24 -0.97 -1.22 5.03 0.15 -0.71 117.51 119.92 1f51 h ILE 455 Ca 0.22 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 65.16 1f51 h ILE 455 Cb 0.45 0.24 -0.09 0.00 -3.03 0.00 0.00 36.82 34.39 1f51 h ILE 455 CO -0.54 0.00 0.61 -0.33 -0.68 0.00 0.00 178.15 177.21 1f51 h GLU 456 N -0.42 0.59 0.47 2.37 4.39 -0.44 0.88 114.58 122.42 1f51 h GLU 456 Ca 0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1f51 h GLU 456 Cb 0.57 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1f51 h GLU 456 CO -0.37 0.39 -0.33 0.93 -1.16 0.00 0.00 179.01 178.47 1f51 h GLU 457 N 0.61 -0.75 -0.57 2.33 5.08 -0.59 -0.15 114.58 120.55 1f51 h GLU 457 Ca 0.54 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.06 1f51 h GLU 457 Cb 1.04 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 1f51 h GLU 457 CO -0.29 -0.50 -0.15 0.52 -1.00 0.00 0.00 179.01 177.59 1f51 h MET 458 N -0.78 -0.01 -0.39 2.33 2.86 -0.34 0.18 114.93 118.80 1f51 h MET 458 Ca -0.05 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1f51 h MET 458 Cb 0.65 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.23 1f51 h MET 458 CO 0.03 -0.00 -0.12 0.28 1.06 0.00 0.00 176.91 178.15 1f51 h VAL 459 N -0.01 0.56 -0.16 -2.22 2.07 -0.59 0.09 116.25 115.99 1f51 h VAL 459 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1f51 h VAL 459 Cb 0.42 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1f51 h VAL 459 CO -0.59 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.49 1f51 h ILE 460 N -0.04 1.10 -0.80 4.57 2.04 0.62 -0.83 117.51 124.18 1f51 h ILE 460 Ca 0.19 -0.27 0.20 0.00 1.00 0.00 0.00 64.86 65.98 1f51 h ILE 460 Cb 0.33 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1f51 h ILE 460 CO -0.42 0.09 0.55 0.44 0.00 0.00 0.00 178.15 178.81 1f51 h ASP 461 N 0.16 0.20 -0.06 1.72 3.32 0.08 -0.74 116.42 121.10 1f51 h ASP 461 Ca 0.06 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1f51 h ASP 461 Cb 0.07 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1f51 h ASP 461 CO -0.01 0.09 -0.16 0.00 -1.72 0.00 0.00 179.24 177.43 1f51 h ALA 462 N 1.63 0.10 -0.76 3.45 0.00 0.25 -1.58 119.26 122.35 1f51 h ALA 462 Ca 0.39 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1f51 h ALA 462 Cb 1.24 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1f51 h ALA 462 CO -0.08 0.03 0.50 0.87 0.00 0.00 0.00 179.25 180.56 1f51 h LYS 463 N -0.29 0.71 -0.28 0.00 1.57 0.15 0.73 116.57 119.16 1f51 h LYS 463 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1f51 h LYS 463 Cb 0.78 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1f51 h LYS 463 CO 0.04 0.47 -0.15 0.45 -0.57 0.00 0.00 179.45 179.68 1f51 h HIS 464 N 0.73 0.69 -0.26 -1.35 3.86 -1.30 1.10 115.15 118.61 1f51 h HIS 464 Ca 0.34 -0.18 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 1f51 h HIS 464 Cb 0.36 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1f51 h HIS 464 CO -0.00 0.85 0.05 1.49 0.86 0.00 0.00 177.93 181.18 1f51 h GLU 465 N 0.33 0.14 0.17 2.45 4.81 0.12 0.15 114.58 122.76 1f51 h GLU 465 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1f51 h GLU 465 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1f51 h GLU 465 CO 0.04 0.10 -0.09 1.03 -0.73 0.00 0.00 179.01 179.36 1f51 h SER 466 N 0.15 -0.22 -1.00 1.04 0.87 0.69 -2.59 113.55 112.49 1f51 h SER 466 Ca 0.12 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1f51 h SER 466 Cb 0.12 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1f51 h SER 466 CO -0.16 -0.15 0.63 0.11 -0.53 0.00 0.00 176.83 176.73 1f51 h LYS 467 N -0.25 1.02 -0.15 2.24 1.57 0.18 -0.62 116.57 120.56 1f51 h LYS 467 Ca -0.02 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1f51 h LYS 467 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1f51 h LYS 467 CO 0.03 0.67 -0.37 1.25 -0.57 0.00 0.00 179.45 180.46 1f51 h LEU 468 N 1.05 0.34 0.00 2.94 5.85 -0.63 -2.31 115.31 122.55 1f51 h LEU 468 Ca 0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1f51 h LEU 468 Cb 0.38 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1f51 h LEU 468 CO -0.23 0.69 0.00 -1.20 -0.34 0.00 0.00 178.44 177.35 1f51 n SER 469 N -4.05 0.00 -2.66 1.25 7.64 -0.27 -3.74 113.62 111.79 1f51 n SER 469 Ca -0.01 -1.88 -0.07 0.00 1.01 0.00 0.00 58.87 57.92 1f51 n SER 469 Cb 0.46 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.70 1f51 n SER 469 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f51 n ASN 470 N -0.55 2.25 0.00 6.43 3.02 -0.87 -4.59 115.26 120.95 1f51 n ASN 470 Ca 0.02 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1f51 n ASN 470 Cb 0.01 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1f51 n ASN 470 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1f51 n LEU 471 N -0.52 0.91 -4.36 3.41 4.77 -1.25 -4.36 117.00 115.61 1f51 n LEU 471 Ca 0.15 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.89 1f51 n LEU 471 Cb 0.82 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 1f51 n LEU 471 CO 0.17 0.23 -0.42 0.29 -1.33 0.00 0.00 177.39 176.32 1f51 n LYS 472 N -0.19 -0.90 -3.15 3.23 5.02 -1.26 0.72 118.16 121.62 1f51 n LYS 472 Ca 0.00 0.10 -0.27 0.00 -2.02 0.00 0.00 58.31 56.12 1f51 n LYS 472 Cb 0.29 -3.77 -0.06 0.00 -0.02 0.00 0.00 35.03 31.47 1f51 n LYS 472 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1f51 n THR 473 N -4.49 2.58 -0.12 -0.18 5.66 -1.26 -3.21 114.28 113.26 1f51 n THR 473 Ca -0.25 -5.36 -0.05 0.00 -3.05 0.00 0.00 64.05 55.34 1f51 n THR 473 Cb 0.66 -1.66 0.02 0.00 -1.55 0.00 0.00 70.33 67.80 1f51 n THR 473 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1f51 h PRO 474 N 3.50 0.09 -0.84 1.09 0.13 -1.88 -2.09 132.00 131.99 1f51 h PRO 474 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1f51 h PRO 474 Cb 0.59 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 1f51 h PRO 474 CO 0.81 0.06 0.54 0.45 -0.23 0.00 0.00 178.00 179.63 1f51 h HIS 475 N 0.09 1.07 -0.01 1.56 3.86 -1.93 -0.57 115.15 119.20 1f51 h HIS 475 Ca 0.19 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1f51 h HIS 475 Cb 0.28 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1f51 h HIS 475 CO -0.28 0.68 0.00 1.25 0.86 0.00 0.00 177.93 180.45 1f51 h LEU 476 N 1.14 0.02 -0.05 2.43 5.85 -1.74 -1.15 115.31 121.81 1f51 h LEU 476 Ca 0.31 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1f51 h LEU 476 Cb -0.11 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1f51 h LEU 476 CO -0.06 0.22 0.03 0.00 -0.34 0.00 0.00 178.44 178.29 1f51 h ALA 477 N 0.80 0.06 -0.34 1.25 0.00 -1.16 -0.25 119.26 119.63 1f51 h ALA 477 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1f51 h ALA 477 Cb 0.21 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1f51 h ALA 477 CO -0.00 -0.44 -0.23 0.35 0.00 0.00 0.00 179.25 178.93 1f51 h PHE 478 N 0.06 -0.59 -0.72 0.00 3.04 -1.05 0.38 116.94 118.06 1f51 h PHE 478 Ca 0.02 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.07 1f51 h PHE 478 Cb -0.00 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.78 1f51 h PHE 478 CO -0.07 -0.30 0.47 -0.44 -2.02 0.00 0.00 178.31 175.95 1f51 h ASP 479 N -0.19 0.68 0.76 0.41 5.19 -0.80 -2.66 116.42 119.82 1f51 h ASP 479 Ca 0.17 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.33 1f51 h ASP 479 Cb 0.45 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 1f51 h ASP 479 CO -0.45 0.45 -1.31 -0.26 -3.12 0.00 0.00 179.24 174.55 1f51 h PHE 480 N 0.78 0.04 -0.47 4.55 0.05 0.24 -3.33 116.94 118.79 1f51 h PHE 480 Ca 0.31 -0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.96 1f51 h PHE 480 Cb 0.21 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1f51 h PHE 480 CO -0.00 1.03 -0.12 -0.07 -0.18 0.00 0.00 178.31 178.97 1f51 h LEU 481 N 0.01 0.87 -3.93 1.54 3.38 -0.01 -3.21 115.31 113.95 1f51 h LEU 481 Ca -0.13 -0.28 -0.48 0.00 0.09 0.00 0.00 57.88 57.08 1f51 h LEU 481 Cb 1.88 -0.23 -0.29 0.00 0.09 0.00 0.00 40.66 42.11 1f51 h LEU 481 CO 0.11 1.00 0.58 0.35 0.09 0.00 0.00 178.44 180.57 1f51 n THR 482 N -4.15 3.14 0.00 0.22 -2.24 -1.03 -4.75 114.28 105.47 1f51 n THR 482 Ca 0.01 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 1f51 n THR 482 Cb 0.39 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1f51 n THR 482 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1f51 n PHE 483 N -1.14 0.00 0.07 4.78 -0.00 -1.21 -3.13 117.46 116.82 1f51 n PHE 483 Ca 0.57 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 58.06 1f51 n PHE 483 Cb 1.59 -0.41 0.22 0.00 -0.00 0.00 0.00 39.48 40.87 1f51 n PHE 483 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1f51 n ASN 484 N -1.74 0.21 -0.05 -2.13 4.13 -1.26 -1.86 115.26 112.56 1f51 n ASN 484 Ca 0.00 0.55 -0.13 0.00 1.68 0.00 0.00 54.58 56.68 1f51 n ASN 484 Cb 0.00 -0.56 -0.11 0.00 -1.54 0.00 0.00 39.78 37.57 1f51 n ASN 484 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1f51 h TRP 485 N 0.00 -0.01 -2.25 3.10 6.55 -1.88 -3.39 115.95 118.07 1f51 h TRP 485 Ca 0.00 -0.00 -0.76 0.00 0.95 0.00 0.00 58.89 59.08 1f51 h TRP 485 Cb 0.15 0.00 -0.20 0.00 -0.86 0.00 0.00 29.16 28.25 1f51 h TRP 485 CO 0.00 0.77 1.34 1.63 -1.05 0.00 0.00 178.44 181.14 1f51 n LYS 486 N -4.71 3.63 0.00 0.49 5.02 -0.78 -4.97 118.16 116.84 1f51 n LYS 486 Ca -0.09 -3.95 0.00 0.00 -2.02 0.00 0.00 58.31 52.25 1f51 n LYS 486 Cb 0.38 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 1f51 n LYS 486 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1f51 n THR 487 N 3.45 0.00 -0.34 -0.18 -2.24 -1.26 -4.98 114.28 108.72 1f51 n THR 487 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1f51 n THR 487 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1f51 n THR 487 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1f51 n HIS 488 N 0.00 0.00 0.00 4.78 8.25 -1.26 -4.65 115.22 122.34 1f51 n HIS 488 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1f51 n HIS 488 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1f51 n HIS 488 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1f51 n TYR 489 N 0.00 0.00 -4.20 4.41 4.01 -1.26 -4.88 117.16 115.24 1f51 n TYR 489 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1f51 n TYR 489 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1f51 n TYR 489 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f51 s MET 490 N 0.00 2.20 -0.29 -0.72 0.23 -1.25 -4.44 119.30 115.03 1f51 s MET 490 Ca 0.00 -1.93 -0.04 0.00 -1.03 0.00 0.00 55.69 52.69 1f51 s MET 490 Cb 0.00 -1.93 0.03 0.00 -1.53 0.00 0.00 34.83 31.40 1f51 s MET 490 CO 0.00 -0.18 0.02 0.95 -2.03 0.00 0.00 175.02 173.78 1f51 s THR 491 N -2.65 3.36 0.18 3.16 -4.23 -0.12 -4.85 115.64 110.50 1f51 s THR 491 Ca 0.37 -1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 1f51 s THR 491 Cb 0.04 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 1f51 s THR 491 CO 0.20 0.04 0.93 -0.22 -0.54 0.00 0.00 174.62 175.04 1f51 s LEU 492 N 1.37 4.59 -0.06 4.79 2.96 -1.26 -1.77 118.68 129.30 1f51 s LEU 492 Ca -0.01 1.85 0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1f51 s LEU 492 Cb -0.18 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1f51 s LEU 492 CO -0.01 0.08 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.29 1f51 s GLU 493 N -0.74 1.51 0.16 1.98 2.12 -0.21 -4.89 118.70 118.62 1f51 s GLU 493 Ca 0.42 -0.38 0.11 0.00 0.36 0.00 0.00 54.97 55.48 1f51 s GLU 493 Cb -0.25 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 1f51 s GLU 493 CO 0.30 0.04 -0.24 1.52 -0.54 0.00 0.00 175.26 176.34 1f51 s TYR 494 N 0.58 2.22 0.04 5.30 -0.85 -1.26 -0.04 117.35 123.35 1f51 s TYR 494 Ca -0.12 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.09 1f51 s TYR 494 Cb -0.14 -1.15 -0.02 0.00 0.38 0.00 0.00 41.96 41.02 1f51 s TYR 494 CO 0.03 0.40 -0.13 -2.00 -1.52 0.00 0.00 175.55 172.33 1f51 s GLU 495 N -2.38 0.84 -0.38 -3.49 2.12 0.28 -4.92 118.70 110.77 1f51 s GLU 495 Ca 0.17 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1f51 s GLU 495 Cb -0.09 -0.81 0.11 0.00 0.26 0.00 0.00 34.13 33.60 1f51 s GLU 495 CO 0.08 0.20 0.12 0.08 -0.54 0.00 0.00 175.26 175.19 1f51 s VAL 496 N -0.88 2.56 -0.26 3.70 1.01 -1.26 -0.31 120.40 124.96 1f51 s VAL 496 Ca -0.00 -2.41 -0.25 0.00 0.00 0.00 0.00 61.98 59.33 1f51 s VAL 496 Cb -0.08 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 1f51 s VAL 496 CO 0.01 -0.65 0.83 -0.76 0.00 0.00 0.00 175.10 174.53 1f51 s LEU 497 N 0.80 4.08 -0.23 3.92 1.43 0.18 -4.68 118.68 124.18 1f51 s LEU 497 Ca 0.11 0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1f51 s LEU 497 Cb -0.21 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1f51 s LEU 497 CO -0.06 -0.55 0.13 0.61 0.23 0.00 0.00 176.35 176.71 1f51 n GLY 498 N 3.83 -4.73 0.71 -3.19 0.00 -1.26 -1.96 105.19 98.59 1f51 n GLY 498 Ca 0.06 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1f51 n GLY 498 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f51 n GLU 499 N 1.16 0.00 -1.74 1.61 1.02 -1.26 -3.56 120.64 117.86 1f51 n GLU 499 Ca -0.22 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 1f51 n GLU 499 Cb 0.34 -0.36 -0.00 0.00 -0.02 0.00 0.00 31.44 31.39 1f51 n GLU 499 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1f51 n ILE 500 N -1.21 1.84 -3.71 -3.67 -0.00 -1.26 -4.64 119.36 106.71 1f51 n ILE 500 Ca 0.00 -0.46 -0.14 0.00 -0.00 0.00 0.00 62.75 62.15 1f51 n ILE 500 Cb 0.00 -1.83 -0.08 0.00 -0.00 0.00 0.00 39.64 37.72 1f51 n ILE 500 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1f51 s LYS 501 N -1.78 0.70 -0.12 0.38 2.20 -1.26 -5.09 119.74 114.77 1f51 s LYS 501 Ca 0.56 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1f51 s LYS 501 Cb -0.51 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 1f51 s LYS 501 CO 0.61 -0.18 1.21 0.34 -0.36 0.00 0.00 175.35 176.96 1f51 s ASP 502 N -0.96 7.02 -0.21 1.43 -1.08 -1.26 -4.16 116.67 117.45 1f51 s ASP 502 Ca -0.10 1.72 0.20 0.00 -0.52 0.00 0.00 52.55 53.85 1f51 s ASP 502 Cb -0.04 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.35 1f51 s ASP 502 CO 0.04 -0.66 1.14 0.18 0.52 0.00 0.00 175.17 176.40 1f51 n LEU 503 N 5.88 2.11 -0.19 -1.34 4.77 0.22 -4.81 117.00 123.64 1f51 n LEU 503 Ca 0.12 -3.17 -0.06 0.00 -0.03 0.00 0.00 56.01 52.88 1f51 n LEU 503 Cb 0.46 0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1f51 n LEU 503 CO 0.55 1.13 1.10 0.77 -1.33 0.00 0.00 177.39 179.61 1f51 h SER 504 N 2.09 0.60 -1.19 -1.43 4.64 -1.54 -0.94 113.55 115.79 1f51 h SER 504 Ca -0.06 -0.01 0.34 0.00 -0.47 0.00 0.00 61.79 61.59 1f51 h SER 504 Cb 1.43 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 1f51 h SER 504 CO 0.25 0.43 0.80 0.00 -0.87 0.00 0.00 176.83 177.44 1f51 h ALA 505 N 1.23 2.67 0.00 5.18 0.00 -1.87 -0.53 119.26 125.94 1f51 h ALA 505 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1f51 h ALA 505 Cb -0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f51 h ALA 505 CO -0.07 -1.12 -1.18 0.66 0.00 0.00 0.00 179.25 177.54 1f51 n TYR 506 N -4.49 0.00 0.00 0.00 4.01 -0.41 -4.80 117.16 111.47 1f51 n TYR 506 Ca 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1f51 n TYR 506 Cb 1.16 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1f51 n TYR 506 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1f51 n ASP 507 N -1.65 0.00 -0.31 7.72 4.64 -0.21 -1.32 116.55 125.43 1f51 n ASP 507 Ca 0.02 0.48 0.16 0.00 -1.38 0.00 0.00 54.79 54.08 1f51 n ASP 507 Cb 0.37 -0.14 0.35 0.00 -1.04 0.00 0.00 41.12 40.66 1f51 n ASP 507 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1f51 h GLN 508 N 0.00 0.24 0.06 -0.67 1.08 -1.87 -1.50 115.11 112.46 1f51 h GLN 508 Ca 0.00 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1f51 h GLN 508 Cb 0.00 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1f51 h GLN 508 CO 0.00 0.16 -0.39 -0.22 -0.95 0.00 0.00 178.83 177.43 1f51 h LYS 509 N 0.25 -0.52 -0.67 1.46 3.64 -1.53 -0.07 116.57 119.13 1f51 h LYS 509 Ca 0.61 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 60.17 1f51 h LYS 509 Cb 1.28 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.10 1f51 h LYS 509 CO -0.64 -0.35 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.09 1f51 h LEU 510 N -0.54 -0.36 -0.43 5.20 3.38 -0.87 -1.34 115.31 120.34 1f51 h LEU 510 Ca -0.00 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1f51 h LEU 510 Cb 0.55 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1f51 h LEU 510 CO -0.23 -0.16 -0.13 0.00 0.09 0.00 0.00 178.44 178.02 1f51 h ALA 511 N 1.63 0.59 0.47 1.53 0.00 -1.17 -0.21 119.26 122.11 1f51 h ALA 511 Ca 0.35 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1f51 h ALA 511 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1f51 h ALA 511 CO -0.60 0.50 -0.37 -0.22 0.00 0.00 0.00 179.25 178.56 1f51 h LYS 512 N 0.67 -0.78 -0.52 0.00 3.64 -0.45 0.93 116.57 120.06 1f51 h LYS 512 Ca 0.11 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1f51 h LYS 512 Cb 0.67 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.60 1f51 h LYS 512 CO 0.05 -0.52 -0.35 1.25 -2.27 0.00 0.00 179.45 177.60 1f51 h LEU 513 N -0.81 -1.27 -0.21 5.20 5.85 -1.23 -1.89 115.31 120.94 1f51 h LEU 513 Ca -0.06 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1f51 h LEU 513 Cb 0.67 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1f51 h LEU 513 CO 0.01 -0.17 -0.07 -0.03 -0.34 0.00 0.00 178.44 177.85 1f51 h MET 514 N -0.06 -0.03 -1.13 1.25 4.05 -0.99 0.21 114.93 118.24 1f51 h MET 514 Ca 0.08 0.00 0.31 0.00 -0.28 0.00 0.00 59.70 59.82 1f51 h MET 514 Cb 0.28 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 30.99 1f51 h MET 514 CO -0.52 -0.02 0.74 0.00 0.23 0.00 0.00 176.91 177.34 1f51 h ARG 515 N -0.03 0.26 0.00 0.39 3.08 -0.09 2.72 114.38 120.72 1f51 h ARG 515 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1f51 h ARG 515 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1f51 h ARG 515 CO -0.24 0.17 -0.02 0.87 -1.07 0.00 0.00 179.97 179.68 1f51 h LYS 516 N 0.26 0.01 0.00 0.04 1.57 -0.37 -2.21 116.57 115.87 1f51 h LYS 516 Ca 0.64 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.37 1f51 h LYS 516 Cb 1.86 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.17 1f51 h LYS 516 CO -0.27 0.88 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.26 1f51 h LEU 517 N -0.85 0.00 -0.36 2.94 3.38 0.21 -0.69 115.31 119.94 1f51 h LEU 517 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1f51 h LEU 517 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1f51 h LEU 517 CO 0.00 0.16 -0.12 -0.26 0.09 0.00 0.00 178.44 178.31 1f51 h PHE 518 N 0.00 0.00 0.09 1.13 0.04 0.46 -2.07 116.94 116.59 1f51 h PHE 518 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1f51 h PHE 518 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1f51 h PHE 518 CO 0.00 0.12 -1.24 1.25 -0.60 0.00 0.00 178.31 177.84 1f51 h HIS 519 N 0.00 0.35 -0.68 -0.55 2.76 -0.58 -3.18 115.15 113.27 1f51 h HIS 519 Ca -0.00 -0.26 -0.07 0.00 -2.20 0.00 0.00 60.37 57.84 1f51 h HIS 519 Cb 0.97 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 1f51 h HIS 519 CO 0.00 1.49 0.13 -0.07 -1.30 0.00 0.00 177.93 178.18 1f51 h LEU 520 N -0.45 1.06 -2.15 0.26 3.38 -1.24 -0.37 115.31 115.79 1f51 h LEU 520 Ca -0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1f51 h LEU 520 Cb 1.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1f51 h LEU 520 CO 0.02 1.04 -0.07 -0.26 0.09 0.00 0.00 178.44 179.26 1f51 h PHE 521 N 1.03 0.00 0.00 1.13 0.04 -1.51 -2.31 116.94 115.32 1f51 h PHE 521 Ca 0.21 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.89 1f51 h PHE 521 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1f51 h PHE 521 CO 0.03 0.07 -0.54 0.22 -0.60 0.00 0.00 178.31 177.49 1f51 h ASP 522 N 0.00 0.00 -0.29 2.17 3.58 -1.06 -2.98 116.42 117.84 1f51 h ASP 522 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1f51 h ASP 522 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1f51 h ASP 522 CO 0.01 0.41 0.00 0.00 -2.88 0.00 0.00 179.24 176.77 1f51 n GLN 523 N -3.15 2.44 0.00 0.28 10.64 -0.89 -4.19 117.38 122.51 1f51 n GLN 523 Ca 0.01 -2.15 0.00 0.00 -1.83 0.00 0.00 57.00 53.03 1f51 n GLN 523 Cb 0.70 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 1f51 n GLN 523 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f51 n ALA 524 N 1.41 1.86 -2.64 2.61 0.00 -1.07 -4.56 120.51 118.13 1f51 n ALA 524 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 1f51 n ALA 524 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 1f51 n ALA 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1f51 s VAL 525 N -1.17 5.14 0.38 0.00 -7.23 -1.13 0.20 120.40 116.60 1f51 s VAL 525 Ca 0.00 0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 60.67 1f51 s VAL 525 Cb 0.00 -3.77 -0.11 0.00 0.56 0.00 0.00 36.38 33.06 1f51 s VAL 525 CO 0.00 0.18 1.34 -1.54 -0.31 0.00 0.00 175.10 174.77 1f51 n SER 526 N 4.96 2.97 -1.90 4.85 3.41 -1.19 -4.58 113.62 122.15 1f51 n SER 526 Ca -0.07 1.18 -0.14 0.00 -0.26 0.00 0.00 58.87 59.58 1f51 n SER 526 Cb 0.51 -1.53 -0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1f51 n SER 526 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1f51 n ARG 527 N 0.33 1.72 -4.80 4.33 3.00 -1.26 -4.66 116.66 115.33 1f51 n ARG 527 Ca 0.04 -1.26 -0.25 0.00 -0.01 0.00 0.00 57.85 56.37 1f51 n ARG 527 Cb 0.38 -1.58 -0.16 0.00 0.00 0.00 0.00 32.46 31.10 1f51 n ARG 527 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1f51 s GLU 528 N -1.12 1.55 0.15 5.56 2.12 -1.26 -5.08 118.70 120.63 1f51 s GLU 528 Ca 0.31 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1f51 s GLU 528 Cb 0.21 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 33.19 1f51 s GLU 528 CO -0.04 0.29 0.00 0.43 -0.54 0.00 0.00 175.26 175.40 1f51 n SER 529 N 2.94 -3.01 -4.54 -1.70 7.64 -1.26 -4.53 113.62 109.17 1f51 n SER 529 Ca -0.17 0.40 -0.40 0.00 1.01 0.00 0.00 58.87 59.71 1f51 n SER 529 Cb 0.54 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 1f51 n SER 529 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1f51 n GLU 530 N -1.16 1.08 -3.74 1.43 1.02 -1.26 -4.80 120.64 113.21 1f51 n GLU 530 Ca 0.00 0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.91 1f51 n GLU 530 Cb 0.03 -3.04 -0.10 0.00 -0.02 0.00 0.00 31.44 28.31 1f51 n GLU 530 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1f51 s ASN 531 N 10.52 5.92 -0.02 1.62 0.01 -1.26 -4.35 114.94 127.38 1f51 s ASN 531 Ca 1.05 0.07 0.03 0.00 -0.71 0.00 0.00 52.86 53.30 1f51 s ASN 531 Cb -0.43 -2.06 -0.00 0.00 0.41 0.00 0.00 41.25 39.17 1f51 s ASN 531 CO 0.34 0.07 -0.11 -2.28 -1.51 0.00 0.00 177.10 173.61 1f51 s HIS 532 N 1.00 1.04 -0.10 2.20 5.65 -0.99 -0.94 115.29 123.13 1f51 s HIS 532 Ca 0.06 -0.22 0.02 0.00 0.25 0.00 0.00 55.06 55.17 1f51 s HIS 532 Cb -0.13 -0.69 0.01 0.00 -1.18 0.00 0.00 32.58 30.59 1f51 s HIS 532 CO 0.04 -0.05 -0.16 -1.17 -0.65 0.00 0.00 174.74 172.75 1f51 s LEU 533 N -0.11 1.76 -0.27 8.88 0.20 -0.73 -2.44 118.68 125.97 1f51 s LEU 533 Ca 0.02 -0.42 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 1f51 s LEU 533 Cb -0.06 -1.09 -0.00 0.00 -0.43 0.00 0.00 46.19 44.61 1f51 s LEU 533 CO -0.00 0.04 0.05 -0.89 -0.29 0.00 0.00 176.35 175.25 1f51 s THR 534 N 0.85 3.89 -0.18 3.68 2.01 0.11 -1.05 115.64 124.95 1f51 s THR 534 Ca -0.09 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 1f51 s THR 534 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1f51 s THR 534 CO 0.01 0.21 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.39 1f51 s VAL 535 N 1.52 3.38 -0.07 3.82 1.01 0.95 -0.89 120.40 130.11 1f51 s VAL 535 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1f51 s VAL 535 Cb -0.16 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1f51 s VAL 535 CO 0.01 0.46 -0.23 -0.44 0.00 0.00 0.00 175.10 174.90 1f51 s SER 536 N 0.95 2.93 -0.24 3.32 0.01 -1.00 0.10 113.70 119.78 1f51 s SER 536 Ca -0.01 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 1f51 s SER 536 Cb -0.15 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1f51 s SER 536 CO 0.00 0.20 0.15 -0.22 0.41 0.00 0.00 173.24 173.78 1f51 s LEU 537 N 0.07 4.04 -0.29 2.44 2.96 0.58 -1.99 118.68 126.48 1f51 s LEU 537 Ca -0.10 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1f51 s LEU 537 Cb -0.15 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1f51 s LEU 537 CO 0.05 0.05 0.09 -1.58 -1.32 0.00 0.00 176.35 173.64 1f51 s GLN 538 N 1.17 3.22 0.00 1.98 0.74 -0.41 0.48 119.66 126.84 1f51 s GLN 538 Ca 0.07 -0.78 0.19 0.00 0.05 0.00 0.00 55.36 54.90 1f51 s GLN 538 Cb -0.14 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 1f51 s GLN 538 CO 0.05 -0.40 0.96 0.25 -0.55 0.00 0.00 175.29 175.60 1f51 n THR 539 N 4.90 0.00 0.45 -0.34 -2.24 -0.83 -2.49 114.28 113.72 1f51 n THR 539 Ca -0.15 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1f51 n THR 539 Cb 0.49 1.21 0.39 0.00 -2.10 0.00 0.00 70.33 70.31 1f51 n THR 539 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1f51 h ASP 540 N 1.97 0.00 -2.95 3.42 1.82 -1.64 -3.47 116.42 115.57 1f51 h ASP 540 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1f51 h ASP 540 Cb 0.64 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.71 1f51 h ASP 540 CO 0.00 0.00 0.88 -2.28 -1.61 0.00 0.00 179.24 176.23 1f51 s HIS 541 N -3.22 2.99 0.00 0.28 2.46 -1.26 -4.98 115.29 111.56 1f51 s HIS 541 Ca 0.08 0.66 0.00 0.00 0.47 0.00 0.00 55.06 56.27 1f51 s HIS 541 Cb 0.10 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1f51 s HIS 541 CO 0.58 -3.47 0.69 -2.30 -2.47 0.00 0.00 174.74 167.77 1f51 n PRO 542 N 3.48 0.00 -0.32 2.88 -0.02 -1.26 -3.88 135.00 135.88 1f51 n PRO 542 Ca 0.12 0.37 0.27 0.00 -2.02 0.00 0.00 63.50 62.25 1f51 n PRO 542 Cb 0.38 -1.27 0.59 0.00 -0.02 0.00 0.00 33.50 33.18 1f51 n PRO 542 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1f51 h ASP 543 N 0.00 0.30 -2.98 2.55 3.45 -2.03 -3.42 116.42 114.28 1f51 h ASP 543 Ca 0.00 0.06 0.07 0.00 0.43 0.00 0.00 57.03 57.59 1f51 h ASP 543 Cb 0.00 0.01 -0.25 0.00 -0.56 0.00 0.00 39.33 38.53 1f51 h ASP 543 CO 0.00 0.04 0.34 -0.60 -1.57 0.00 0.00 179.24 177.46 1f51 s ARG 544 N -5.31 0.51 0.00 3.56 3.52 -1.25 -5.11 118.95 114.86 1f51 s ARG 544 Ca -0.07 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1f51 s ARG 544 Cb 0.25 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 1f51 s ARG 544 CO 0.80 -0.08 0.00 1.04 -0.81 0.00 0.00 175.30 176.25 1f51 n GLN 545 N 3.11 0.00 -3.81 5.12 1.13 -1.23 -4.58 117.38 117.11 1f51 n GLN 545 Ca -0.16 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.77 1f51 n GLN 545 Cb 0.57 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.77 1f51 n GLN 545 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1f51 s LEU 546 N 0.00 1.42 -0.07 1.08 1.98 -1.23 -4.52 118.68 117.34 1f51 s LEU 546 Ca 0.00 0.09 0.01 0.00 -2.89 0.00 0.00 54.13 51.34 1f51 s LEU 546 Cb 0.00 0.09 0.02 0.00 0.66 0.00 0.00 46.19 46.96 1f51 s LEU 546 CO 0.00 -0.07 -0.08 0.27 -1.89 0.00 0.00 176.35 174.57 1f51 s ILE 547 N 0.56 0.92 -0.20 6.68 -4.36 -1.04 -1.45 121.20 122.31 1f51 s ILE 547 Ca -0.04 -0.31 -0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1f51 s ILE 547 Cb -0.06 -0.90 -0.00 0.00 1.25 0.00 0.00 42.46 42.74 1f51 s ILE 547 CO -0.02 0.32 -0.08 -1.48 0.24 0.00 0.00 174.94 173.92 1f51 s LEU 548 N 1.08 2.74 0.07 0.37 2.34 -1.09 -1.28 118.68 122.90 1f51 s LEU 548 Ca -0.07 -0.43 -0.12 0.00 0.06 0.00 0.00 54.13 53.57 1f51 s LEU 548 Cb -0.14 -1.67 -0.06 0.00 -0.56 0.00 0.00 46.19 43.75 1f51 s LEU 548 CO -0.01 0.01 0.44 -0.31 -1.06 0.00 0.00 176.35 175.42 1f51 s TYR 549 N 1.27 3.64 -0.13 3.48 2.02 -0.84 -2.77 117.35 124.02 1f51 s TYR 549 Ca 0.03 0.92 0.03 0.00 -0.37 0.00 0.00 57.07 57.68 1f51 s TYR 549 Cb -0.14 -2.25 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1f51 s TYR 549 CO -0.04 0.54 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.75 1f51 s LEU 550 N -1.64 2.09 -0.23 -1.29 1.02 0.68 -2.37 118.68 116.93 1f51 s LEU 550 Ca 0.31 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.85 1f51 s LEU 550 Cb -0.15 -1.42 0.02 0.00 0.02 0.00 0.00 46.19 44.66 1f51 s LEU 550 CO 0.17 0.10 -0.07 -0.62 0.02 0.00 0.00 176.35 175.94 1f51 s ASP 551 N 0.71 4.16 -0.00 2.29 -1.08 -0.07 -1.21 116.67 121.47 1f51 s ASP 551 Ca -0.10 -0.74 0.06 0.00 -0.52 0.00 0.00 52.55 51.25 1f51 s ASP 551 Cb -0.16 -1.66 -0.02 0.00 -1.46 0.00 0.00 42.92 39.63 1f51 s ASP 551 CO 0.01 -0.09 -0.19 0.12 0.52 0.00 0.00 175.17 175.53 1f51 s PHE 552 N 1.35 1.72 -0.01 -5.34 5.36 -0.63 0.06 117.98 120.50 1f51 s PHE 552 Ca 0.02 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 1f51 s PHE 552 Cb -0.16 -1.09 0.02 0.00 -0.34 0.00 0.00 43.02 41.45 1f51 s PHE 552 CO -0.05 -0.01 0.00 -1.58 -1.46 0.00 0.00 175.22 172.12 1f51 s HIS 553 N -0.52 0.14 0.00 10.12 5.65 -1.02 -2.53 115.29 127.12 1f51 s HIS 553 Ca 0.07 0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.41 1f51 s HIS 553 Cb -0.08 -0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.12 1f51 s HIS 553 CO -0.00 -0.06 0.00 0.41 -0.65 0.00 0.00 174.74 174.44 1f51 n GLY 554 N 3.67 -0.77 3.37 1.59 0.00 0.84 -2.36 105.19 111.53 1f51 n GLY 554 Ca -0.21 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1f51 n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f51 s ALA 555 N -1.00 -1.26 -0.09 4.61 0.00 -1.26 -4.52 121.76 118.24 1f51 s ALA 555 Ca 0.00 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1f51 s ALA 555 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1f51 s ALA 555 CO 0.00 -0.57 -0.20 -0.06 0.00 0.00 0.00 175.76 174.93 1f51 s PHE 556 N -2.92 2.21 -0.08 0.00 0.08 -1.26 -3.14 117.98 112.87 1f51 s PHE 556 Ca -0.03 -0.88 0.14 0.00 0.12 0.00 0.00 56.93 56.28 1f51 s PHE 556 Cb -0.00 -1.51 -0.17 0.00 -0.57 0.00 0.00 43.02 40.77 1f51 s PHE 556 CO -0.06 -0.37 0.81 0.00 -0.10 0.00 0.00 175.22 175.50 1f51 h ALA 557 N 6.78 0.69 -1.60 5.36 0.00 0.20 -3.42 119.26 127.28 1f51 h ALA 557 Ca -0.23 -1.10 -0.42 0.00 0.00 0.00 0.00 54.91 53.16 1f51 h ALA 557 Cb 1.22 0.33 -0.29 0.00 0.00 0.00 0.00 17.79 19.05 1f51 h ALA 557 CO 0.47 1.21 -0.82 -3.47 0.00 0.00 0.00 179.25 176.64 1f51 n ASP 558 N -3.00 -1.43 0.00 0.00 2.03 -0.90 -4.96 116.55 108.29 1f51 n ASP 558 Ca -0.12 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.48 1f51 n ASP 558 Cb 0.93 0.35 0.00 0.00 -0.72 0.00 0.00 41.12 41.68 1f51 n ASP 558 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1f51 n PRO 559 N 2.36 0.00 0.20 -0.67 -0.04 -1.26 -1.70 135.00 133.89 1f51 n PRO 559 Ca 0.22 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 64.05 1f51 n PRO 559 Cb 0.53 -1.54 0.23 0.00 -0.04 0.00 0.00 33.50 32.68 1f51 n PRO 559 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1f51 h SER 560 N 0.00 0.00 0.00 3.54 0.87 -1.94 -3.22 113.55 112.80 1f51 h SER 560 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f51 h SER 560 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1f51 h SER 560 CO 0.00 0.22 0.11 0.00 -0.53 0.00 0.00 176.83 176.63 1f51 n ALA 561 N -2.17 0.82 1.10 6.23 0.00 -0.69 -0.16 120.51 125.66 1f51 n ALA 561 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1f51 n ALA 561 Cb 0.56 -0.91 0.15 0.00 0.00 0.00 0.00 19.45 19.25 1f51 n ALA 561 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1f51 n PHE 562 N -1.70 0.00 -0.30 0.00 3.72 -1.22 -4.56 117.46 113.40 1f51 n PHE 562 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1f51 n PHE 562 Cb 0.12 -0.04 0.13 0.00 -0.94 0.00 0.00 39.48 38.76 1f51 n PHE 562 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1f51 h ASP 563 N 2.26 0.83 0.25 4.37 3.32 -0.78 -2.84 116.42 123.84 1f51 h ASP 563 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1f51 h ASP 563 Cb 0.69 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1f51 h ASP 563 CO 0.00 0.54 -0.12 -0.78 -1.72 0.00 0.00 179.24 177.16 1f51 h ASP 564 N 0.97 -0.29 -2.48 6.45 1.82 -1.80 -3.08 116.42 118.01 1f51 h ASP 564 Ca 0.36 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.45 1f51 h ASP 564 Cb 0.14 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 1f51 h ASP 564 CO -0.16 -0.20 1.20 -0.63 -1.61 0.00 0.00 179.24 177.84 1f51 s ILE 565 N -6.09 3.34 0.00 2.25 1.01 -1.07 0.13 121.20 120.77 1f51 s ILE 565 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1f51 s ILE 565 Cb 0.05 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1f51 s ILE 565 CO 0.64 -0.08 0.00 -1.14 0.00 0.00 0.00 174.94 174.36 1f51 n ARG 566 N 7.60 0.00 0.09 2.79 3.00 -1.26 -4.69 116.66 124.19 1f51 n ARG 566 Ca 0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.16 1f51 n ARG 566 Cb 0.43 -3.20 -0.02 0.00 0.00 0.00 0.00 32.46 29.67 1f51 n ARG 566 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1f51 n GLN 567 N -0.94 0.61 0.00 -0.14 10.64 0.34 -4.93 117.38 122.97 1f51 n GLN 567 Ca 0.00 0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1f51 n GLN 567 Cb 0.47 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 1f51 n GLN 567 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1f51 n ASN 568 N -2.65 0.00 0.00 2.61 2.85 -1.19 -5.10 115.26 111.78 1f51 n ASN 568 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1f51 n ASN 568 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1f51 n ASN 568 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1f51 n GLY 569 N 0.84 2.70 2.57 8.20 0.00 -1.26 -4.97 105.19 113.26 1f51 n GLY 569 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1f51 n GLY 569 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f51 n TYR 570 N 0.00 2.13 0.00 1.61 9.36 -1.26 -4.75 117.16 124.25 1f51 n TYR 570 Ca 0.00 -3.91 0.00 0.00 3.32 0.00 0.00 57.90 57.31 1f51 n TYR 570 Cb 0.00 -0.46 0.00 0.00 -0.63 0.00 0.00 39.34 38.25 1f51 n TYR 570 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1f51 n GLU 571 N 0.02 0.00 0.00 2.98 -0.58 -1.26 -3.99 120.64 117.81 1f51 n GLU 571 Ca 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1f51 n GLU 571 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1f51 n GLU 571 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1f51 n ASP 572 N 6.68 0.00 -2.75 1.62 4.64 -1.26 -4.86 116.55 120.62 1f51 n ASP 572 Ca 0.00 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.37 1f51 n ASP 572 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 1f51 n ASP 572 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1f51 n VAL 573 N 0.00 -9.06 -2.65 5.18 0.24 -1.25 -4.67 118.33 106.12 1f51 n VAL 573 Ca 0.00 1.90 -0.43 0.00 -2.04 0.00 0.00 64.34 63.77 1f51 n VAL 573 Cb 0.00 -5.22 -0.00 0.00 -1.47 0.00 0.00 33.84 27.15 1f51 n VAL 573 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1f51 s ASP 574 N -0.44 6.88 -0.28 -1.34 -4.77 -1.19 -4.63 116.67 110.90 1f51 s ASP 574 Ca -0.19 -2.53 -0.20 0.00 -3.30 0.00 0.00 52.55 46.32 1f51 s ASP 574 Cb 0.01 -2.55 -0.23 0.00 -1.09 0.00 0.00 42.92 39.07 1f51 s ASP 574 CO 0.52 -1.10 1.44 0.00 0.70 0.00 0.00 175.17 176.74 1f51 n ILE 575 N 6.07 0.00 -0.40 2.11 3.06 -1.26 -2.91 119.36 126.03 1f51 n ILE 575 Ca 0.46 -0.16 0.35 0.00 -2.50 0.00 0.00 62.75 60.91 1f51 n ILE 575 Cb 0.45 -1.38 0.69 0.00 0.54 0.00 0.00 39.64 39.94 1f51 n ILE 575 CO 0.00 0.00 0.00 0.24 -2.50 0.00 0.00 176.55 174.29 1f51 h MET 576 N 9.73 0.11 -2.13 9.51 2.86 -1.76 -3.43 114.93 129.81 1f51 h MET 576 Ca 0.11 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1f51 h MET 576 Cb 0.77 -0.02 -0.21 0.00 0.06 0.00 0.00 31.60 32.20 1f51 h MET 576 CO 1.36 0.07 0.08 0.50 1.06 0.00 0.00 176.91 179.98 1f51 s ARG 577 N -5.13 0.84 -0.32 1.72 3.52 -0.92 -4.96 118.95 113.70 1f51 s ARG 577 Ca -0.06 0.75 0.05 0.00 -0.13 0.00 0.00 55.73 56.33 1f51 s ARG 577 Cb 0.25 0.40 0.19 0.00 -1.56 0.00 0.00 34.95 34.24 1f51 s ARG 577 CO 0.82 -0.15 0.64 0.12 -0.81 0.00 0.00 175.30 175.92 1f51 s PHE 578 N -0.03 -1.71 -0.01 5.12 2.19 -1.26 -0.64 117.98 121.64 1f51 s PHE 578 Ca -0.03 0.84 0.08 0.00 0.33 0.00 0.00 56.93 58.15 1f51 s PHE 578 Cb -0.04 0.30 -0.02 0.00 -1.31 0.00 0.00 43.02 41.95 1f51 s PHE 578 CO 0.03 -1.03 -0.25 -1.21 1.83 0.00 0.00 175.22 174.59 1f51 s GLU 579 N 2.62 2.10 -0.03 10.12 2.02 -0.46 -5.00 118.70 130.08 1f51 s GLU 579 Ca 0.13 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.19 1f51 s GLU 579 Cb -0.08 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.12 1f51 s GLU 579 CO -0.22 0.56 -0.02 -1.50 0.02 0.00 0.00 175.26 174.10 1f51 s ILE 580 N -0.64 0.32 0.00 -1.63 2.07 -1.26 -0.63 121.20 119.42 1f51 s ILE 580 Ca 0.10 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1f51 s ILE 580 Cb -0.10 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.12 1f51 s ILE 580 CO -0.01 0.16 0.00 0.35 -1.91 0.00 0.00 174.94 173.54 1f51 n THR 581 N 3.88 0.00 -0.26 4.00 -2.24 0.14 -4.99 114.28 114.81 1f51 n THR 581 Ca -0.24 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1f51 n THR 581 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1f51 n THR 581 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1f51 h SER 582 N 0.00 -1.54 0.00 3.42 0.02 -2.01 -3.27 113.55 110.17 1f51 h SER 582 Ca 0.00 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1f51 h SER 582 Cb 0.00 0.72 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1f51 h SER 582 CO 0.00 -0.31 0.00 1.41 -1.14 0.00 0.00 176.83 176.79 1f51 n HIS 583 N -5.40 0.00 -4.28 3.45 -0.00 -1.26 -4.34 115.22 103.38 1f51 n HIS 583 Ca 0.03 -0.21 -0.15 0.00 -0.00 0.00 0.00 57.72 57.39 1f51 n HIS 583 Cb 0.35 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 30.22 1f51 n HIS 583 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1f51 s GLU 584 N -0.43 1.17 -0.20 -0.41 2.02 -1.24 -0.11 118.70 119.51 1f51 s GLU 584 Ca 0.00 -1.53 -0.06 0.00 0.02 0.00 0.00 54.97 53.41 1f51 s GLU 584 Cb 0.00 -0.68 0.10 0.00 0.10 0.00 0.00 34.13 33.64 1f51 s GLU 584 CO 0.00 0.04 0.38 0.00 0.02 0.00 0.00 175.26 175.71 1f51 s LEU 586 N 2.56 3.39 -0.01 0.00 0.20 0.19 -1.60 118.68 123.41 1f51 s LEU 586 Ca 0.02 0.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.84 1f51 s LEU 586 Cb -0.13 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1f51 s LEU 586 CO -0.13 0.31 0.06 -0.63 -0.29 0.00 0.00 176.35 175.68 1f51 s ILE 587 N -0.49 0.04 -0.04 6.68 1.01 -0.35 -1.35 121.20 126.70 1f51 s ILE 587 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1f51 s ILE 587 Cb -0.12 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1f51 s ILE 587 CO 0.02 -0.16 -0.02 -1.61 0.00 0.00 0.00 174.94 173.17 1f51 s GLU 588 N -0.48 0.64 0.08 2.79 2.02 0.19 -0.23 118.70 123.71 1f51 s GLU 588 Ca -0.05 -0.02 0.07 0.00 0.02 0.00 0.00 54.97 54.98 1f51 s GLU 588 Cb -0.04 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.41 1f51 s GLU 588 CO 0.00 -0.13 -0.18 0.42 0.02 0.00 0.00 175.26 175.39 1f51 s ILE 589 N 1.10 1.47 0.18 -1.63 1.01 -1.12 -2.17 121.20 120.06 1f51 s ILE 589 Ca -0.08 -1.39 0.07 0.00 0.00 0.00 0.00 60.65 59.25 1f51 s ILE 589 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1f51 s ILE 589 CO -0.01 -0.08 0.00 -0.83 0.00 0.00 0.00 174.94 174.02 1f51 s GLY 590 N -1.72 1.71 0.01 6.18 0.00 -1.15 -2.68 107.32 109.68 1f51 s GLY 590 Ca 0.03 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1f51 s GLY 590 CO 0.03 -1.42 -0.03 1.08 0.00 0.00 0.00 173.10 172.76 1f51 s LEU 591 N -3.04 2.11 0.00 0.66 1.43 -0.53 -3.16 118.68 116.16 1f51 s LEU 591 Ca 0.28 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1f51 s LEU 591 Cb -0.09 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.07 1f51 s LEU 591 CO 0.19 -0.11 0.00 0.47 0.23 0.00 0.00 176.35 177.13