#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qms h LEU 421 N 0.00 0.41 -0.71 -3.43 5.85 -2.02 -0.74 115.31 114.67 2qms h LEU 421 Ca 0.00 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2qms h LEU 421 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2qms h LEU 421 CO 0.00 0.27 -0.63 0.77 -0.34 0.00 0.00 178.44 178.51 2qms h SER 422 N 0.55 0.00 -0.50 1.25 4.64 -2.03 0.21 113.55 117.67 2qms h SER 422 Ca 0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 2qms h SER 422 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2qms h SER 422 CO -0.20 0.63 -0.03 0.00 -0.87 0.00 0.00 176.83 176.36 2qms h ALA 423 N 1.37 0.93 -0.12 5.18 0.00 -1.93 -2.80 119.26 121.88 2qms h ALA 423 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2qms h ALA 423 Cb 1.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qms h ALA 423 CO 0.08 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 2qms h ALA 424 N 1.09 0.17 -0.61 0.00 0.00 -0.35 -3.32 119.26 116.24 2qms h ALA 424 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qms h ALA 424 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qms h ALA 424 CO 0.03 -0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.70 2qms n ILE 425 N -4.67 1.46 -1.68 0.00 -5.35 -0.01 -4.89 119.36 104.22 2qms n ILE 425 Ca -0.06 -1.02 -0.46 0.00 -0.27 0.00 0.00 62.75 60.94 2qms n ILE 425 Cb 0.30 0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 2qms n ILE 425 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2qms n HIS 426 N 1.12 2.37 -1.05 4.28 -0.00 -1.06 -1.62 115.22 119.27 2qms n HIS 426 Ca 0.23 0.04 -0.02 0.00 0.46 0.00 0.00 57.72 58.44 2qms n HIS 426 Cb 0.75 -2.64 -0.01 0.00 -0.12 0.00 0.00 29.99 27.97 2qms n HIS 426 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2qms n ARG 427 N 5.40 -0.13 0.07 1.57 1.74 -1.26 -4.96 116.66 119.09 2qms n ARG 427 Ca 0.20 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.91 2qms n ARG 427 Cb 0.31 -4.05 0.07 0.00 -1.02 0.00 0.00 32.46 27.77 2qms n ARG 427 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qms n THR 428 N -2.94 0.43 -3.66 0.55 -2.24 -0.64 -5.01 114.28 100.77 2qms n THR 428 Ca -0.02 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 2qms n THR 428 Cb 0.06 -0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 2qms n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qms n GLN 429 N -2.32 -1.31 0.00 -0.78 1.13 -1.26 -4.86 117.38 107.98 2qms n GLN 429 Ca 0.02 0.47 0.06 0.00 -1.94 0.00 0.00 57.00 55.61 2qms n GLN 429 Cb 0.49 -4.21 0.33 0.00 0.11 0.00 0.00 30.24 26.96 2qms n GLN 429 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2qms n LEU 430 N -4.15 0.00 0.06 1.08 4.77 -1.26 -3.07 117.00 114.43 2qms n LEU 430 Ca -0.09 0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2qms n LEU 430 Cb 0.59 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 42.15 2qms n LEU 430 CO 0.67 -0.01 0.89 -2.67 -1.33 0.00 0.00 177.39 174.94 2qms n TRP 431 N -1.02 0.53 -3.31 -1.77 4.27 -1.26 -1.04 117.44 113.83 2qms n TRP 431 Ca 0.08 0.15 -0.38 0.00 -3.89 0.00 0.00 57.50 53.46 2qms n TRP 431 Cb 0.04 -0.74 -0.07 0.00 -1.36 0.00 0.00 31.31 29.18 2qms n TRP 431 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2qms s PHE 432 N -3.06 3.41 -0.87 -2.67 5.36 -1.18 -1.01 117.98 117.97 2qms s PHE 432 Ca 0.12 0.75 0.07 0.00 -0.96 0.00 0.00 56.93 56.91 2qms s PHE 432 Cb 0.15 -2.59 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 2qms s PHE 432 CO 0.58 -0.00 0.75 0.72 -1.46 0.00 0.00 175.22 175.80 2qms n HIS 433 N 4.41 0.02 -4.86 10.12 8.25 0.42 -4.77 115.22 128.81 2qms n HIS 433 Ca -0.06 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2qms n HIS 433 Cb 0.51 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2qms n HIS 433 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qms n GLY 434 N 0.38 0.93 3.60 -1.41 0.00 -1.26 -4.65 105.19 102.78 2qms n GLY 434 Ca 0.04 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2qms n GLY 434 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qms s ARG 435 N 0.00 3.83 0.04 1.61 3.52 -1.26 -0.31 118.95 126.38 2qms s ARG 435 Ca 0.00 0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 56.03 2qms s ARG 435 Cb 0.00 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2qms s ARG 435 CO 0.00 -0.85 0.07 0.96 -0.81 0.00 0.00 175.30 174.67 2qms s ILE 436 N 3.22 0.14 0.70 4.11 -4.36 -1.25 -4.93 121.20 118.83 2qms s ILE 436 Ca 0.34 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.43 2qms s ILE 436 Cb -0.13 -0.94 0.02 0.00 1.25 0.00 0.00 42.46 42.66 2qms s ILE 436 CO 0.17 -0.65 1.10 -0.94 0.24 0.00 0.00 174.94 174.85 2qms s SER 437 N -2.21 4.95 0.21 4.36 1.04 -1.26 -4.59 113.70 116.20 2qms s SER 437 Ca -0.04 1.89 -0.17 0.00 0.48 0.00 0.00 55.95 58.11 2qms s SER 437 Cb -0.00 -2.53 0.20 0.00 0.10 0.00 0.00 66.02 63.78 2qms s SER 437 CO -0.05 -1.74 1.59 -0.09 0.98 0.00 0.00 173.24 173.93 2qms h ARG 438 N -0.44 -0.08 -0.87 4.02 2.43 -2.00 -1.30 114.38 116.13 2qms h ARG 438 Ca -0.45 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2qms h ARG 438 Cb 1.24 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 2qms h ARG 438 CO 0.53 -0.06 0.58 1.49 -1.51 0.00 0.00 179.97 181.01 2qms h GLU 439 N -0.09 1.10 -0.41 0.20 4.81 -1.99 -1.93 114.58 116.27 2qms h GLU 439 Ca 0.29 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 2qms h GLU 439 Cb 0.55 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2qms h GLU 439 CO -0.74 0.73 -0.16 1.49 -0.73 0.00 0.00 179.01 179.59 2qms h GLU 440 N 1.13 0.77 -0.34 1.92 4.57 -1.75 0.18 114.58 121.06 2qms h GLU 440 Ca 0.34 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2qms h GLU 440 Cb -0.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2qms h GLU 440 CO -0.09 0.88 0.21 0.66 -1.18 0.00 0.00 179.01 179.49 2qms h SER 441 N 0.68 0.41 -0.44 1.04 4.64 -0.56 0.35 113.55 119.67 2qms h SER 441 Ca 0.11 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2qms h SER 441 Cb 0.66 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2qms h SER 441 CO 0.05 0.34 0.06 1.56 -0.87 0.00 0.00 176.83 177.97 2qms h GLN 442 N 0.44 0.81 -0.28 4.77 4.20 -1.07 -0.84 115.11 123.14 2qms h GLN 442 Ca 0.12 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2qms h GLN 442 Cb 0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2qms h GLN 442 CO -0.02 0.78 0.16 -0.09 -0.67 0.00 0.00 178.83 178.99 2qms h ARG 443 N 0.77 0.39 -0.41 1.46 2.43 -0.04 -1.53 114.38 117.44 2qms h ARG 443 Ca 0.16 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2qms h ARG 443 Cb 0.39 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2qms h ARG 443 CO 0.01 0.32 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.62 2qms h LEU 444 N 0.35 0.81 -0.05 3.80 3.38 -0.66 -0.41 115.31 122.53 2qms h LEU 444 Ca 0.10 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qms h LEU 444 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qms h LEU 444 CO -0.02 0.98 0.03 0.40 0.09 0.00 0.00 178.44 179.93 2qms h ILE 445 N 0.62 1.02 -0.51 1.22 2.04 -1.08 -2.28 117.51 118.53 2qms h ILE 445 Ca 0.10 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.01 2qms h ILE 445 Cb 0.63 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 2qms h ILE 445 CO 0.04 0.02 0.14 1.23 0.00 0.00 0.00 178.15 179.58 2qms h GLY 446 N 0.06 0.66 1.70 5.37 0.00 -1.20 -1.43 103.07 108.22 2qms h GLY 446 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2qms h GLY 446 CO -0.00 -0.04 0.12 -1.61 0.00 0.00 0.00 176.54 175.01 2qms h GLN 447 N 0.29 0.00 -0.24 4.80 4.15 -0.70 -0.79 115.11 122.63 2qms h GLN 447 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2qms h GLN 447 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2qms h GLN 447 CO -0.30 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.64 2qms n GLN 448 N -3.95 2.17 0.00 1.69 6.02 -0.60 -4.97 117.38 117.74 2qms n GLN 448 Ca -0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 2qms n GLN 448 Cb 0.23 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.06 2qms n GLN 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qms n GLY 449 N 1.24 1.16 4.03 1.08 0.00 -0.30 -4.70 105.19 107.69 2qms n GLY 449 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2qms n GLY 449 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qms n LEU 450 N 0.00 -1.52 -4.77 0.99 4.77 -1.10 -4.95 117.00 110.43 2qms n LEU 450 Ca 0.00 -0.86 -0.37 0.00 -0.03 0.00 0.00 56.01 54.76 2qms n LEU 450 Cb 0.00 -2.00 0.01 0.00 -2.33 0.00 0.00 43.42 39.09 2qms n LEU 450 CO 0.00 0.23 0.84 -0.69 -1.33 0.00 0.00 177.39 176.45 2qms s VAL 451 N -3.16 2.90 0.18 4.08 1.01 -1.26 -4.49 120.40 119.66 2qms s VAL 451 Ca 0.67 0.63 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 2qms s VAL 451 Cb -0.37 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2qms s VAL 451 CO 0.82 -0.05 1.51 -1.81 0.00 0.00 0.00 175.10 175.57 2qms s ASP 452 N -1.43 6.63 0.00 3.32 1.11 -1.26 -2.17 116.67 122.87 2qms s ASP 452 Ca 0.69 2.59 0.00 0.00 0.18 0.00 0.00 52.55 56.01 2qms s ASP 452 Cb -0.29 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.10 2qms s ASP 452 CO 0.34 -0.77 0.00 0.61 1.18 0.00 0.00 175.17 176.53 2qms n GLY 453 N 3.31 0.66 3.71 0.21 0.00 0.51 -4.78 105.19 108.82 2qms n GLY 453 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2qms n GLY 453 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qms s LEU 454 N 0.00 4.37 0.09 0.99 2.96 -0.92 -0.77 118.68 125.39 2qms s LEU 454 Ca 0.00 2.13 -0.08 0.00 -0.22 0.00 0.00 54.13 55.96 2qms s LEU 454 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2qms s LEU 454 CO 0.00 -0.55 0.17 0.72 -1.32 0.00 0.00 176.35 175.37 2qms s PHE 455 N 1.14 0.23 0.11 5.38 -0.71 0.30 -0.77 117.98 123.66 2qms s PHE 455 Ca 0.61 -0.67 -0.12 0.00 -1.04 0.00 0.00 56.93 55.71 2qms s PHE 455 Cb -0.32 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 2qms s PHE 455 CO 0.29 -0.54 0.29 -0.48 -1.34 0.00 0.00 175.22 173.44 2qms s LEU 456 N -2.88 0.96 -0.13 -1.99 0.05 0.35 -0.79 118.68 114.26 2qms s LEU 456 Ca 0.07 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 53.72 2qms s LEU 456 Cb 0.05 1.39 -0.01 0.00 -2.05 0.00 0.00 46.19 45.57 2qms s LEU 456 CO -0.10 -0.79 -0.14 -0.69 -0.55 0.00 0.00 176.35 174.08 2qms s VAL 457 N -3.84 3.00 0.34 1.48 1.01 -0.18 0.22 120.40 122.43 2qms s VAL 457 Ca 0.05 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2qms s VAL 457 Cb 0.03 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2qms s VAL 457 CO -0.11 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.59 2qms s ARG 458 N 0.35 1.71 0.20 2.72 1.70 0.22 -0.44 118.95 125.41 2qms s ARG 458 Ca -0.11 -1.97 -0.20 0.00 -0.47 0.00 0.00 55.73 52.97 2qms s ARG 458 Cb -0.16 -0.82 -0.08 0.00 -0.57 0.00 0.00 34.95 33.32 2qms s ARG 458 CO 0.06 -0.25 0.72 -1.21 -1.08 0.00 0.00 175.30 173.53 2qms s GLU 459 N -3.86 4.29 0.32 3.89 2.02 0.57 -0.77 118.70 125.17 2qms s GLU 459 Ca 0.33 0.90 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 2qms s GLU 459 Cb 0.07 -2.97 -0.11 0.00 0.10 0.00 0.00 34.13 31.22 2qms s GLU 459 CO 0.15 0.45 1.56 0.45 0.02 0.00 0.00 175.26 177.88 2qms s SER 460 N -1.52 6.36 0.47 -0.19 0.15 -0.80 -3.87 113.70 114.29 2qms s SER 460 Ca 0.40 2.98 0.27 0.00 0.70 0.00 0.00 55.95 60.30 2qms s SER 460 Cb -0.18 -2.65 0.79 0.00 -1.71 0.00 0.00 66.02 62.28 2qms s SER 460 CO 0.22 -0.90 1.77 1.56 1.20 0.00 0.00 173.24 177.09 2qms h GLN 461 N 4.21 0.00 0.01 5.44 4.20 -1.91 -3.39 115.11 123.66 2qms h GLN 461 Ca -0.48 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 57.81 2qms h GLN 461 Cb 1.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 2qms h GLN 461 CO 0.74 0.07 -2.44 0.54 -0.67 0.00 0.00 178.83 177.07 2qms n ARG 462 N -3.15 0.63 -3.33 1.46 1.74 -1.26 -4.81 116.66 107.94 2qms n ARG 462 Ca 0.02 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 56.89 2qms n ARG 462 Cb 0.45 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 2qms n ARG 462 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2qms s ASN 463 N -6.98 6.19 0.64 0.55 3.84 -1.26 -4.95 114.94 112.97 2qms s ASN 463 Ca -0.36 -0.68 0.28 0.00 0.21 0.00 0.00 52.86 52.31 2qms s ASN 463 Cb 0.11 -2.22 1.51 0.00 -0.55 0.00 0.00 41.25 40.11 2qms s ASN 463 CO 0.56 -0.56 1.87 -0.65 -2.79 0.00 0.00 177.10 175.53 2qms h PRO 464 N 8.71 0.00 -0.05 0.43 0.11 -1.87 -1.91 132.00 137.43 2qms h PRO 464 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qms h PRO 464 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qms h PRO 464 CO 0.79 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 2qms n GLN 465 N -3.11 1.01 -3.31 1.05 10.64 -1.26 -5.01 117.38 117.38 2qms n GLN 465 Ca 0.01 -1.12 -0.25 0.00 -1.83 0.00 0.00 57.00 53.81 2qms n GLN 465 Cb 0.49 -1.07 -0.01 0.00 -0.86 0.00 0.00 30.24 28.79 2qms n GLN 465 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2qms s GLY 466 N -0.59 1.42 0.30 2.61 0.00 -0.72 -4.44 107.32 105.90 2qms s GLY 466 Ca 0.05 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 44.01 2qms s GLY 466 CO 0.04 -0.76 -0.07 -1.36 0.00 0.00 0.00 173.10 170.96 2qms s PHE 467 N -2.32 2.08 -0.03 1.90 0.08 0.04 -1.91 117.98 117.82 2qms s PHE 467 Ca 0.41 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 2qms s PHE 467 Cb -0.10 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2qms s PHE 467 CO 0.36 0.36 0.02 0.08 -0.10 0.00 0.00 175.22 175.94 2qms s VAL 468 N -2.90 0.05 -0.24 -0.44 1.01 0.05 0.16 120.40 118.09 2qms s VAL 468 Ca 0.30 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 2qms s VAL 468 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2qms s VAL 468 CO 0.13 0.13 0.63 -0.22 0.00 0.00 0.00 175.10 175.77 2qms s LEU 469 N 1.20 4.08 -0.21 3.92 2.96 0.32 -0.61 118.68 130.33 2qms s LEU 469 Ca -0.07 0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2qms s LEU 469 Cb -0.13 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 2qms s LEU 469 CO -0.02 -0.35 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.20 2qms s SER 470 N 1.42 4.67 -0.06 3.68 0.01 0.13 -0.63 113.70 122.91 2qms s SER 470 Ca 0.27 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 2qms s SER 470 Cb -0.16 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.31 2qms s SER 470 CO 0.09 0.04 0.14 -0.22 0.41 0.00 0.00 173.24 173.69 2qms s LEU 471 N 1.17 0.81 -0.26 2.44 2.96 0.02 -0.49 118.68 125.32 2qms s LEU 471 Ca 0.03 0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 54.08 2qms s LEU 471 Cb -0.14 0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.87 2qms s LEU 471 CO 0.01 -0.14 0.34 0.00 -1.32 0.00 0.00 176.35 175.24 2qms s HIS 473 N 1.81 0.62 -1.16 0.00 2.46 -0.24 -0.36 115.29 118.42 2qms s HIS 473 Ca 0.14 -0.14 -0.00 0.00 0.47 0.00 0.00 55.06 55.53 2qms s HIS 473 Cb -0.15 -0.65 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 2qms s HIS 473 CO 0.09 -0.22 0.97 1.28 -2.47 0.00 0.00 174.74 174.38 2qms n LEU 474 N 4.45 -3.93 -1.86 8.88 4.77 -1.26 -2.16 117.00 125.89 2qms n LEU 474 Ca -0.19 -0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 55.02 2qms n LEU 474 Cb 0.50 -3.02 -0.05 0.00 -2.33 0.00 0.00 43.42 38.52 2qms n LEU 474 CO 0.19 0.38 -0.20 0.00 -1.33 0.00 0.00 177.39 176.42 2qms n GLN 475 N -4.04 -1.57 -4.59 3.23 3.00 -1.26 -4.98 117.38 107.18 2qms n GLN 475 Ca -0.27 1.01 -0.24 0.00 -0.01 0.00 0.00 57.00 57.50 2qms n GLN 475 Cb 0.66 -5.47 -0.16 0.00 0.00 0.00 0.00 30.24 25.27 2qms n GLN 475 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2qms s LYS 476 N -4.10 1.47 -0.05 -1.09 1.02 -0.92 -5.12 119.74 110.94 2qms s LYS 476 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 2qms s LYS 476 Cb 0.00 -1.27 -0.03 0.00 -0.52 0.00 0.00 37.83 36.00 2qms s LYS 476 CO 0.00 0.11 0.83 0.08 -0.92 0.00 0.00 175.35 175.45 2qms s VAL 477 N 0.35 4.95 0.20 3.17 1.01 -1.26 -1.08 120.40 127.75 2qms s VAL 477 Ca -0.08 1.72 0.11 0.00 0.00 0.00 0.00 61.98 63.73 2qms s VAL 477 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2qms s VAL 477 CO 0.02 0.18 -0.23 -0.54 0.00 0.00 0.00 175.10 174.54 2qms s LYS 478 N 1.07 1.57 -0.11 2.72 1.02 0.89 -4.94 119.74 121.96 2qms s LYS 478 Ca 0.43 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 54.91 2qms s LYS 478 Cb -0.19 -1.86 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 2qms s LYS 478 CO 0.21 0.39 -0.20 -1.01 -0.92 0.00 0.00 175.35 173.83 2qms s HIS 479 N -1.77 2.30 -0.19 3.18 3.76 -1.26 -0.80 115.29 120.51 2qms s HIS 479 Ca 0.22 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2qms s HIS 479 Cb -0.08 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 32.06 2qms s HIS 479 CO 0.11 -0.48 -0.16 0.71 -0.85 0.00 0.00 174.74 174.07 2qms s TYR 480 N 0.70 2.73 0.20 1.40 1.51 0.19 -4.96 117.35 119.12 2qms s TYR 480 Ca -0.12 -1.72 -0.30 0.00 -1.01 0.00 0.00 57.07 53.93 2qms s TYR 480 Cb -0.16 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 2qms s TYR 480 CO 0.02 -0.79 1.34 -0.51 -1.11 0.00 0.00 175.55 174.50 2qms s LEU 481 N 1.30 4.41 -0.23 -1.29 1.43 -1.26 -0.52 118.68 122.51 2qms s LEU 481 Ca 0.01 2.45 -0.03 0.00 -1.03 0.00 0.00 54.13 55.53 2qms s LEU 481 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qms s LEU 481 CO -0.10 -0.57 -0.05 -0.63 0.23 0.00 0.00 176.35 175.23 2qms s ILE 482 N 0.17 3.19 -0.06 -0.59 1.01 0.12 -4.22 121.20 120.82 2qms s ILE 482 Ca 0.58 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2qms s ILE 482 Cb -0.38 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2qms s ILE 482 CO 0.39 0.34 -0.11 -0.76 0.00 0.00 0.00 174.94 174.80 2qms s LEU 483 N 1.43 2.90 0.24 2.97 1.43 0.39 -0.78 118.68 127.26 2qms s LEU 483 Ca 0.04 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2qms s LEU 483 Cb -0.15 -1.61 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 2qms s LEU 483 CO -0.04 0.35 1.27 -2.16 0.23 0.00 0.00 176.35 175.99 2qms s PRO 484 N -0.73 4.43 -0.02 1.29 0.04 -1.26 -1.67 135.00 137.08 2qms s PRO 484 Ca 0.11 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2qms s PRO 484 Cb -0.11 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 2qms s PRO 484 CO 0.01 -0.16 -0.10 -1.12 0.04 0.00 0.00 177.00 175.68 2qms s SER 485 N -0.03 1.23 -0.30 6.66 0.01 0.11 -4.98 113.70 116.40 2qms s SER 485 Ca 0.53 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2qms s SER 485 Cb -0.36 -0.24 0.07 0.00 0.21 0.00 0.00 66.02 65.70 2qms s SER 485 CO 0.42 0.10 -0.01 -0.70 0.41 0.00 0.00 173.24 173.46 2qms s GLU 486 N -0.03 2.20 -0.29 12.44 2.12 -1.26 -1.01 118.70 132.87 2qms s GLU 486 Ca 0.00 -1.43 -0.04 0.00 0.36 0.00 0.00 54.97 53.86 2qms s GLU 486 Cb -0.06 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.22 2qms s GLU 486 CO 0.00 -0.69 0.04 -2.00 -0.54 0.00 0.00 175.26 172.06 2qms s GLU 487 N 1.15 2.79 -1.21 4.30 2.12 -0.60 -4.75 118.70 122.50 2qms s GLU 487 Ca -0.03 -1.04 -0.05 0.00 0.36 0.00 0.00 54.97 54.21 2qms s GLU 487 Cb -0.20 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 2qms s GLU 487 CO -0.04 -0.52 0.81 0.39 -0.54 0.00 0.00 175.26 175.37 2qms n GLU 488 N 4.76 -3.96 -1.32 4.30 1.02 -1.26 -2.76 120.64 121.41 2qms n GLU 488 Ca -0.14 0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 57.59 2qms n GLU 488 Cb 0.46 -5.24 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 2qms n GLU 488 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qms n GLY 489 N -1.45 1.00 3.04 0.62 0.00 -1.26 -5.01 105.19 102.13 2qms n GLY 489 Ca -0.21 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 2qms n GLY 489 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qms s ARG 490 N -2.88 1.89 -0.18 1.61 1.81 -1.11 -5.13 118.95 114.96 2qms s ARG 490 Ca 0.00 -0.47 -0.11 0.00 -1.72 0.00 0.00 55.73 53.43 2qms s ARG 490 Cb 0.00 -1.56 -0.05 0.00 -0.45 0.00 0.00 34.95 32.90 2qms s ARG 490 CO 0.00 0.02 0.18 -1.17 -0.68 0.00 0.00 175.30 173.65 2qms s LEU 491 N 0.70 4.24 0.18 2.53 2.96 -1.26 -1.56 118.68 126.47 2qms s LEU 491 Ca -0.14 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2qms s LEU 491 Cb -0.16 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2qms s LEU 491 CO 0.03 0.18 0.05 -0.72 -1.32 0.00 0.00 176.35 174.57 2qms s TYR 492 N 0.27 1.18 0.00 5.38 -0.85 -0.18 -4.79 117.35 118.36 2qms s TYR 492 Ca 0.11 -1.15 0.08 0.00 -0.52 0.00 0.00 57.07 55.59 2qms s TYR 492 Cb -0.12 -0.67 -0.02 0.00 0.38 0.00 0.00 41.96 41.53 2qms s TYR 492 CO 0.00 -0.36 -0.25 -0.06 -1.52 0.00 0.00 175.55 173.36 2qms s PHE 493 N -3.83 2.37 -0.01 -3.49 0.08 0.33 0.04 117.98 113.47 2qms s PHE 493 Ca 0.28 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.70 2qms s PHE 493 Cb 0.07 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2qms s PHE 493 CO 0.06 0.05 0.52 0.45 -0.10 0.00 0.00 175.22 176.20 2qms s SER 494 N -0.87 -0.45 0.00 1.36 0.15 -0.67 -1.65 113.70 111.57 2qms s SER 494 Ca 0.11 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.32 2qms s SER 494 Cb -0.10 0.46 0.45 0.00 -1.71 0.00 0.00 66.02 65.12 2qms s SER 494 CO 0.00 -0.60 1.37 0.23 1.20 0.00 0.00 173.24 175.45 2qms n MET 495 N 0.86 2.53 -2.24 5.44 2.81 -1.26 -0.46 117.12 124.80 2qms n MET 495 Ca -0.20 -2.28 -0.00 0.00 -1.81 0.00 0.00 57.70 53.41 2qms n MET 495 Cb 0.58 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.68 2qms n MET 495 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2qms n ASP 496 N 1.25 0.45 -2.83 7.83 5.68 -1.26 -4.89 116.55 122.78 2qms n ASP 496 Ca 0.18 -2.06 -0.21 0.00 -0.50 0.00 0.00 54.79 52.21 2qms n ASP 496 Cb 0.55 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.46 2qms n ASP 496 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2qms n ASP 497 N -0.46 -5.61 0.00 -1.12 8.00 -1.26 -3.02 116.55 113.07 2qms n ASP 497 Ca -0.03 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2qms n ASP 497 Cb 0.89 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 2qms n ASP 497 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qms n GLY 498 N -1.28 0.75 0.22 0.44 0.00 -1.26 -4.94 105.19 99.12 2qms n GLY 498 Ca -0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2qms n GLY 498 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qms h GLN 499 N 1.38 0.60 -4.13 1.61 1.08 -1.97 -3.42 115.11 110.26 2qms h GLN 499 Ca 0.00 -0.38 -0.54 0.00 -1.45 0.00 0.00 58.65 56.28 2qms h GLN 499 Cb 0.00 0.05 -0.38 0.00 -0.05 0.00 0.00 27.48 27.10 2qms h GLN 499 CO 0.00 0.99 -0.79 0.99 -0.95 0.00 0.00 178.83 179.07 2qms s THR 500 N -4.00 1.05 0.03 -0.54 2.01 -1.26 -5.11 115.64 107.82 2qms s THR 500 Ca -0.08 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2qms s THR 500 Cb 0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2qms s THR 500 CO 0.85 0.17 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.69 2qms s ARG 501 N 1.67 2.28 0.01 4.92 0.52 -1.26 -4.45 118.95 122.64 2qms s ARG 501 Ca 0.02 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2qms s ARG 501 Cb -0.15 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2qms s ARG 501 CO -0.08 0.56 -0.04 -0.06 0.02 0.00 0.00 175.30 175.70 2qms s PHE 502 N -0.99 0.36 0.15 -0.53 0.08 -0.66 -4.96 117.98 111.43 2qms s PHE 502 Ca 0.16 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 2qms s PHE 502 Cb -0.11 -0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 2qms s PHE 502 CO 0.07 -0.05 1.41 1.79 -0.10 0.00 0.00 175.22 178.34 2qms h THR 503 N 4.88 1.31 -2.66 0.64 1.35 -1.86 0.96 112.91 117.53 2qms h THR 503 Ca -0.29 -1.89 -0.09 0.00 -0.55 0.00 0.00 66.41 63.58 2qms h THR 503 Cb 1.20 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 2qms h THR 503 CO 0.47 0.60 -0.05 -0.90 -0.25 0.00 0.00 175.52 175.39 2qms n ASP 504 N -3.94 -0.45 -0.06 5.36 5.68 -1.26 -4.63 116.55 117.25 2qms n ASP 504 Ca -0.05 -1.62 -0.10 0.00 -0.50 0.00 0.00 54.79 52.52 2qms n ASP 504 Cb 0.67 0.84 0.04 0.00 -1.14 0.00 0.00 41.12 41.53 2qms n ASP 504 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2qms h LEU 505 N 0.00 0.81 -0.72 -2.12 3.38 -1.98 -3.17 115.31 111.50 2qms h LEU 505 Ca -0.09 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2qms h LEU 505 Cb 0.39 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2qms h LEU 505 CO 0.12 1.11 0.48 0.25 0.09 0.00 0.00 178.44 180.48 2qms h LEU 506 N 0.62 0.82 -0.93 1.67 5.85 -1.99 -0.56 115.31 120.79 2qms h LEU 506 Ca 0.05 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2qms h LEU 506 Cb 0.95 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 2qms h LEU 506 CO 0.09 0.59 0.60 -0.61 -0.34 0.00 0.00 178.44 178.78 2qms h GLN 507 N 0.97 1.13 -0.11 1.25 4.15 -1.96 0.58 115.11 121.12 2qms h GLN 507 Ca 0.27 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 2qms h GLN 507 Cb -0.11 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.33 2qms h GLN 507 CO -0.06 0.75 0.04 1.25 -1.93 0.00 0.00 178.83 178.88 2qms h LEU 508 N 1.16 0.15 -0.10 -2.39 6.46 -1.43 -1.67 115.31 117.49 2qms h LEU 508 Ca 0.37 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2qms h LEU 508 Cb 0.02 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2qms h LEU 508 CO -0.13 0.28 0.05 0.58 -0.62 0.00 0.00 178.44 178.61 2qms h VAL 509 N 0.01 1.12 -0.45 1.05 2.07 -0.61 -2.24 116.25 117.19 2qms h VAL 509 Ca 0.04 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2qms h VAL 509 Cb 0.18 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2qms h VAL 509 CO -0.00 0.10 0.08 -0.33 0.02 0.00 0.00 177.57 177.45 2qms h GLU 510 N 0.04 0.69 -0.66 1.57 5.08 -0.86 -0.35 114.58 120.08 2qms h GLU 510 Ca 0.04 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2qms h GLU 510 Cb 0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qms h GLU 510 CO -0.00 0.64 0.10 0.35 -1.00 0.00 0.00 179.01 179.10 2qms h PHE 511 N 0.66 1.16 0.00 4.33 3.57 -1.18 -3.10 116.94 122.38 2qms h PHE 511 Ca 0.15 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2qms h PHE 511 Cb 0.29 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2qms h PHE 511 CO 0.01 0.97 -0.21 0.72 -2.23 0.00 0.00 178.31 177.57 2qms n HIS 512 N -4.21 0.09 0.30 0.41 8.25 -0.67 -1.27 115.22 118.12 2qms n HIS 512 Ca 0.04 0.03 0.19 0.00 -0.26 0.00 0.00 57.72 57.72 2qms n HIS 512 Cb 0.29 -0.45 0.85 0.00 1.12 0.00 0.00 29.99 31.81 2qms n HIS 512 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qms h GLN 513 N 0.00 0.00 0.00 -0.41 4.20 -1.02 -2.00 115.11 115.88 2qms h GLN 513 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2qms h GLN 513 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2qms h GLN 513 CO 0.00 0.01 -1.22 1.28 -0.67 0.00 0.00 178.83 178.24 2qms n LEU 514 N -3.13 0.00 -3.89 1.46 4.32 -0.98 -4.60 117.00 110.18 2qms n LEU 514 Ca -0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.76 2qms n LEU 514 Cb 0.23 0.04 -0.17 0.00 -1.62 0.00 0.00 43.42 41.90 2qms n LEU 514 CO 0.25 0.04 -0.42 0.20 -1.22 0.00 0.00 177.39 176.24 2qms s ASN 515 N -2.87 1.32 0.26 -1.43 0.01 -0.39 -5.06 114.94 106.78 2qms s ASN 515 Ca -0.02 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2qms s ASN 515 Cb 0.02 -0.55 0.35 0.00 0.41 0.00 0.00 41.25 41.49 2qms s ASN 515 CO 0.16 -0.08 1.72 0.03 -1.51 0.00 0.00 177.10 177.43 2qms h ARG 516 N 7.48 0.62 0.00 -0.60 3.08 -1.86 -3.35 114.38 119.74 2qms h ARG 516 Ca -0.33 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2qms h ARG 516 Cb 1.15 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2qms h ARG 516 CO 0.42 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 180.50 2qms n GLY 517 N -0.43 3.35 0.00 0.04 0.00 -1.26 -0.01 105.19 106.89 2qms n GLY 517 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2qms n GLY 517 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qms n ILE 518 N 0.00 0.38 -3.20 -0.61 -5.35 -1.26 -4.91 119.36 104.41 2qms n ILE 518 Ca 0.00 0.10 -0.32 0.00 -0.27 0.00 0.00 62.75 62.25 2qms n ILE 518 Cb 0.00 -0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 37.09 2qms n ILE 518 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2qms s LEU 519 N -2.60 4.08 0.00 7.28 1.43 0.99 -4.99 118.68 124.87 2qms s LEU 519 Ca 0.19 1.17 0.23 0.00 -1.03 0.00 0.00 54.13 54.69 2qms s LEU 519 Cb 0.14 -3.97 1.00 0.00 0.03 0.00 0.00 46.19 43.40 2qms s LEU 519 CO 0.32 -0.18 1.73 -0.81 0.23 0.00 0.00 176.35 177.64 2qms n PRO 520 N -0.36 0.06 -3.84 1.29 -0.04 -1.26 -4.83 135.00 126.02 2qms n PRO 520 Ca 0.03 0.10 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2qms n PRO 520 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2qms n PRO 520 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qms s LEU 522 N -2.98 3.37 -0.62 0.00 1.43 -1.26 -4.77 118.68 113.85 2qms s LEU 522 Ca 0.13 1.74 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 2qms s LEU 522 Cb -0.05 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.69 2qms s LEU 522 CO 0.08 -1.27 1.09 -0.76 0.23 0.00 0.00 176.35 175.72 2qms s LEU 523 N -4.87 3.77 -0.14 1.79 1.43 -0.75 -4.42 118.68 115.49 2qms s LEU 523 Ca 0.62 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2qms s LEU 523 Cb -0.15 -2.79 -0.14 0.00 0.03 0.00 0.00 46.19 43.14 2qms s LEU 523 CO 0.43 -1.47 -0.02 0.54 0.23 0.00 0.00 176.35 176.06 2qms n ARG 524 N 8.18 1.40 -3.75 1.70 1.74 -0.27 -4.32 116.66 121.34 2qms n ARG 524 Ca 0.03 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.92 2qms n ARG 524 Cb 0.48 -1.33 -0.18 0.00 -1.02 0.00 0.00 32.46 30.42 2qms n ARG 524 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2qms s HIS 525 N -2.31 0.50 0.11 -1.55 3.76 0.05 -4.98 115.29 110.86 2qms s HIS 525 Ca -0.12 -0.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.43 2qms s HIS 525 Cb 0.04 -0.71 -0.07 0.00 1.11 0.00 0.00 32.58 32.95 2qms s HIS 525 CO 0.47 -0.29 1.33 0.00 -0.85 0.00 0.00 174.74 175.40 2qms s THR 528 N 2.86 3.61 -0.77 0.00 -4.23 -1.26 -4.52 115.64 111.33 2qms s THR 528 Ca 0.14 1.60 0.21 0.00 -1.18 0.00 0.00 61.69 62.46 2qms s THR 528 Cb -0.22 -4.02 0.20 0.00 1.34 0.00 0.00 72.50 69.81 2qms s THR 528 CO 0.06 0.37 1.65 -1.14 -0.54 0.00 0.00 174.62 175.02 2qms n ARG 529 N 1.33 0.10 -4.20 3.99 0.63 -0.21 -4.76 116.66 113.56 2qms n ARG 529 Ca -0.01 0.28 -0.17 0.00 -0.92 0.00 0.00 57.85 57.04 2qms n ARG 529 Cb 0.45 -1.68 -0.11 0.00 0.45 0.00 0.00 32.46 31.57 2qms n ARG 529 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2qms s VAL 530 N -3.13 1.12 0.40 5.15 -7.23 -1.26 -5.12 120.40 110.33 2qms s VAL 530 Ca 0.07 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.45 2qms s VAL 530 Cb 0.11 -1.31 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 2qms s VAL 530 CO 0.38 -0.40 1.09 0.00 -0.31 0.00 0.00 175.10 175.86 2qms s ALA 531 N -1.95 3.11 0.00 1.32 0.00 -1.26 -5.17 121.76 117.82 2qms s ALA 531 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2qms s ALA 531 Cb -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2qms s ALA 531 CO 0.02 -0.32 0.50 1.28 0.00 0.00 0.00 175.76 177.23