#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 0.08 -0.10 2.46 5.85 -2.04 -0.76 115.31 120.79 2qms h LEU 421 Ca 0.00 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2qms h LEU 421 Cb 0.00 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2qms h LEU 421 CO 0.00 0.31 -0.35 0.28 -0.34 0.00 0.00 178.44 178.33 2qms h SER 422 N -0.16 -1.09 -0.47 1.25 0.02 -2.03 -1.32 113.55 109.75 2qms h SER 422 Ca 0.01 0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2qms h SER 422 Cb 0.26 0.45 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 2qms h SER 422 CO 0.00 -0.39 0.03 0.00 -1.14 0.00 0.00 176.83 175.33 2qms h ALA 423 N 0.28 0.46 -0.80 3.77 0.00 -1.99 -0.83 119.26 120.14 2qms h ALA 423 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qms h ALA 423 Cb 0.58 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2qms h ALA 423 CO -0.35 -0.37 0.50 0.00 0.00 0.00 0.00 179.25 179.04 2qms h ALA 424 N 1.40 1.37 -0.34 0.00 0.00 -0.08 -3.14 119.26 118.47 2qms h ALA 424 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qms h ALA 424 Cb 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qms h ALA 424 CO -0.36 0.56 0.00 0.44 0.00 0.00 0.00 179.25 179.88 2qms n ILE 425 N -4.39 0.88 -0.42 0.00 -5.35 -0.63 -4.74 119.36 104.71 2qms n ILE 425 Ca 0.09 -0.94 0.34 0.00 -0.27 0.00 0.00 62.75 61.97 2qms n ILE 425 Cb 0.05 0.59 0.63 0.00 -1.74 0.00 0.00 39.64 39.18 2qms n ILE 425 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2qms h HIS 426 N 2.29 0.48 -0.29 4.28 2.76 -1.10 -0.73 115.15 122.84 2qms h HIS 426 Ca 0.00 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 2qms h HIS 426 Cb 0.73 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 2qms h HIS 426 CO 0.23 -0.11 -0.05 0.54 -1.30 0.00 0.00 177.93 177.23 2qms n ARG 427 N -4.59 2.16 -3.80 5.26 1.74 -1.26 -4.95 116.66 111.21 2qms n ARG 427 Ca 0.34 -3.02 -0.34 0.00 -0.77 0.00 0.00 57.85 54.06 2qms n ARG 427 Cb 1.32 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 30.91 2qms n ARG 427 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2qms s THR 428 N -3.08 5.33 -0.70 0.55 -4.23 -0.28 -5.05 115.64 108.17 2qms s THR 428 Ca 0.43 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2qms s THR 428 Cb 0.37 -3.57 0.18 0.00 1.34 0.00 0.00 72.50 70.82 2qms s THR 428 CO 0.03 0.29 0.52 -1.10 -0.54 0.00 0.00 174.62 173.83 2qms s GLN 429 N -1.98 2.68 0.22 3.99 -1.52 -1.26 -4.90 119.66 116.87 2qms s GLN 429 Ca 0.30 -2.91 0.22 0.00 -1.95 0.00 0.00 55.36 51.02 2qms s GLN 429 Cb -0.13 -3.69 0.92 0.00 -0.22 0.00 0.00 33.01 29.89 2qms s GLN 429 CO 0.19 -1.21 1.67 1.28 -0.25 0.00 0.00 175.29 176.97 2qms n LEU 430 N 2.83 0.56 0.13 2.90 4.77 -1.26 -2.79 117.00 124.14 2qms n LEU 430 Ca 0.13 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 2qms n LEU 430 Cb 0.36 -0.56 0.45 0.00 -2.33 0.00 0.00 43.42 41.34 2qms n LEU 430 CO 0.33 -0.51 0.88 4.11 -1.33 0.00 0.00 177.39 180.87 2qms h TRP 431 N 0.00 0.00 -3.36 -1.77 5.08 -1.90 -3.40 115.95 110.59 2qms h TRP 431 Ca 0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 2qms h TRP 431 Cb 0.35 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.44 2qms h TRP 431 CO 0.00 0.00 0.17 0.12 -1.28 0.00 0.00 178.44 177.45 2qms s PHE 432 N -3.23 3.47 -0.77 0.12 5.36 -1.12 -1.35 117.98 120.47 2qms s PHE 432 Ca 0.07 1.13 0.08 0.00 -0.96 0.00 0.00 56.93 57.26 2qms s PHE 432 Cb 0.11 -2.85 -0.00 0.00 -0.34 0.00 0.00 43.02 39.93 2qms s PHE 432 CO 0.51 -0.08 0.57 0.72 -1.46 0.00 0.00 175.22 175.48 2qms n HIS 433 N 4.57 0.00 -4.90 10.12 8.25 0.93 -4.96 115.22 129.22 2qms n HIS 433 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qms n HIS 433 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 0.82 2.60 3.48 -1.41 0.00 -1.26 -4.30 105.19 105.14 2qms n GLY 434 Ca 0.03 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 2qms n GLY 434 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qms n ARG 435 N 12.73 3.33 -4.41 1.61 0.63 -1.26 -1.25 116.66 128.04 2qms n ARG 435 Ca 0.00 -3.71 -0.23 0.00 -0.92 0.00 0.00 57.85 52.99 2qms n ARG 435 Cb 0.00 -3.15 -0.11 0.00 0.45 0.00 0.00 32.46 29.65 2qms n ARG 435 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2qms s ILE 436 N 2.19 2.19 0.69 5.15 -4.36 -1.26 -5.00 121.20 120.79 2qms s ILE 436 Ca 0.46 -2.20 -0.10 0.00 -0.26 0.00 0.00 60.65 58.54 2qms s ILE 436 Cb -0.01 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.59 2qms s ILE 436 CO 0.02 -0.36 1.06 -0.94 0.24 0.00 0.00 174.94 174.96 2qms s SER 437 N -3.14 5.37 0.20 4.36 1.04 -1.26 -4.62 113.70 115.66 2qms s SER 437 Ca 0.24 0.99 -0.10 0.00 0.48 0.00 0.00 55.95 57.56 2qms s SER 437 Cb -0.05 -1.80 0.23 0.00 0.10 0.00 0.00 66.02 64.50 2qms s SER 437 CO 0.11 -1.34 1.78 -0.09 0.98 0.00 0.00 173.24 174.68 2qms h ARG 438 N -0.59 0.53 -0.18 4.02 2.43 -2.00 -1.44 114.38 117.15 2qms h ARG 438 Ca -0.45 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2qms h ARG 438 Cb 1.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2qms h ARG 438 CO 0.63 0.35 0.03 0.93 -1.51 0.00 0.00 179.97 180.40 2qms h GLU 439 N 0.55 0.30 -0.78 0.20 3.07 -1.99 -2.48 114.58 113.43 2qms h GLU 439 Ca 0.28 -0.08 0.16 0.00 -0.50 0.00 0.00 59.36 59.22 2qms h GLU 439 Cb 0.24 -0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 28.01 2qms h GLU 439 CO -0.21 0.46 0.31 0.93 -1.40 0.00 0.00 179.01 179.10 2qms h GLU 440 N 0.08 0.42 -0.64 2.33 4.39 -1.88 -0.75 114.58 118.52 2qms h GLU 440 Ca 0.05 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 2qms h GLU 440 Cb 0.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2qms h GLU 440 CO 0.00 0.28 0.05 0.66 -1.16 0.00 0.00 179.01 178.84 2qms h SER 441 N 0.43 1.05 0.09 1.42 4.64 -1.01 -1.12 113.55 119.05 2qms h SER 441 Ca 0.44 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2qms h SER 441 Cb 0.70 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2qms h SER 441 CO -0.43 1.07 -0.33 1.56 -0.87 0.00 0.00 176.83 177.83 2qms h GLN 442 N 1.00 0.36 0.53 4.77 4.20 -0.99 -0.63 115.11 124.34 2qms h GLN 442 Ca 0.19 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2qms h GLN 442 Cb 0.50 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2qms h GLN 442 CO 0.02 0.65 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.49 2qms h ARG 443 N 0.31 -0.68 -0.76 1.46 2.43 -0.79 0.13 114.38 116.47 2qms h ARG 443 Ca 0.04 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 2qms h ARG 443 Cb 0.74 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.35 2qms h ARG 443 CO 0.06 -0.40 0.33 -0.07 -1.51 0.00 0.00 179.97 178.38 2qms h LEU 444 N -1.11 0.36 -0.12 3.80 3.38 -1.24 0.41 115.31 120.79 2qms h LEU 444 Ca -0.07 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2qms h LEU 444 Cb 0.59 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2qms h LEU 444 CO 0.12 0.16 -0.11 0.40 0.09 0.00 0.00 178.44 179.09 2qms h ILE 445 N 0.50 1.35 -1.00 1.22 2.04 -1.15 -2.64 117.51 117.83 2qms h ILE 445 Ca 0.41 -1.26 0.20 0.00 1.00 0.00 0.00 64.86 65.21 2qms h ILE 445 Cb 0.58 1.92 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 2qms h ILE 445 CO -0.37 0.36 0.61 1.23 0.00 0.00 0.00 178.15 179.99 2qms h GLY 446 N -0.11 1.74 -0.35 5.37 0.00 -0.14 -1.68 103.07 107.90 2qms h GLY 446 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2qms h GLY 446 CO 0.03 -0.09 -0.08 0.61 0.00 0.00 0.00 176.54 177.01 2qms n GLN 447 N -4.76 1.45 -0.72 4.80 10.64 0.08 -3.09 117.38 125.78 2qms n GLN 447 Ca 0.24 -0.88 0.08 0.00 -1.83 0.00 0.00 57.00 54.61 2qms n GLN 447 Cb 0.62 -1.48 0.36 0.00 -0.86 0.00 0.00 30.24 28.88 2qms n GLN 447 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2qms n GLN 448 N -0.01 4.17 0.00 2.61 6.02 -0.65 -4.94 117.38 124.58 2qms n GLN 448 Ca 0.17 -3.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 2qms n GLN 448 Cb 0.37 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.57 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 0.56 0.52 3.77 1.08 0.00 -1.18 -4.28 105.19 105.65 2qms n GLY 449 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.95 -4.71 0.99 4.77 -1.13 -4.90 117.00 109.07 2qms n LEU 450 Ca 0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 2qms n LEU 450 Cb 0.00 -2.77 -0.03 0.00 -2.33 0.00 0.00 43.42 38.29 2qms n LEU 450 CO 0.00 0.55 1.23 -0.69 -1.33 0.00 0.00 177.39 177.15 2qms s VAL 451 N -3.32 2.92 0.02 4.08 1.01 -1.26 -4.33 120.40 119.51 2qms s VAL 451 Ca 0.60 0.56 -0.34 0.00 0.00 0.00 0.00 61.98 62.80 2qms s VAL 451 Cb -0.29 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 2qms s VAL 451 CO 0.79 0.03 1.73 -0.67 0.00 0.00 0.00 175.10 176.97 2qms n ASP 452 N 4.61 3.18 0.00 3.32 2.03 -1.26 -1.51 116.55 126.92 2qms n ASP 452 Ca 0.14 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2qms n ASP 452 Cb 0.40 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 2qms n ASP 452 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qms n GLY 453 N 3.90 0.75 3.74 0.27 0.00 0.21 -4.81 105.19 109.26 2qms n GLY 453 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 4.53 0.11 0.99 2.96 -0.57 -0.94 118.68 125.76 2qms s LEU 454 Ca 0.00 2.07 -0.23 0.00 -0.22 0.00 0.00 54.13 55.75 2qms s LEU 454 Cb 0.00 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.14 2qms s LEU 454 CO 0.00 -0.11 0.57 0.72 -1.32 0.00 0.00 176.35 176.21 2qms s PHE 455 N -0.59 -0.49 0.11 5.38 -0.71 -0.16 -0.32 117.98 121.20 2qms s PHE 455 Ca 0.46 0.41 -0.05 0.00 -1.04 0.00 0.00 56.93 56.71 2qms s PHE 455 Cb -0.29 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2qms s PHE 455 CO 0.35 -0.76 0.14 -0.48 -1.34 0.00 0.00 175.22 173.12 2qms s LEU 456 N -2.41 1.61 -0.02 -1.99 0.05 -0.76 -0.97 118.68 114.20 2qms s LEU 456 Ca -0.01 -0.92 0.04 0.00 0.05 0.00 0.00 54.13 53.29 2qms s LEU 456 Cb -0.00 0.72 -0.03 0.00 -2.05 0.00 0.00 46.19 44.83 2qms s LEU 456 CO -0.08 -0.75 -0.14 -0.69 -0.55 0.00 0.00 176.35 174.15 2qms s VAL 457 N -3.95 3.11 0.25 1.48 1.01 -0.45 -1.18 120.40 120.67 2qms s VAL 457 Ca 0.13 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2qms s VAL 457 Cb 0.06 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2qms s VAL 457 CO -0.05 0.50 0.38 0.00 0.00 0.00 0.00 175.10 175.93 2qms s ARG 458 N -1.02 1.51 0.33 2.72 1.70 -0.63 -0.05 118.95 123.50 2qms s ARG 458 Ca 0.13 -1.44 -0.27 0.00 -0.47 0.00 0.00 55.73 53.68 2qms s ARG 458 Cb -0.11 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 2qms s ARG 458 CO 0.03 -0.59 1.01 -1.21 -1.08 0.00 0.00 175.30 173.45 2qms s GLU 459 N -3.91 4.51 0.27 3.89 2.02 -0.38 0.03 118.70 125.12 2qms s GLU 459 Ca 0.28 1.51 -0.29 0.00 0.02 0.00 0.00 54.97 56.49 2qms s GLU 459 Cb 0.02 -2.87 -0.09 0.00 0.10 0.00 0.00 34.13 31.28 2qms s GLU 459 CO 0.12 0.17 0.98 0.45 0.02 0.00 0.00 175.26 177.00 2qms s SER 460 N -1.38 7.49 -0.12 -0.19 0.15 -0.32 -4.56 113.70 114.77 2qms s SER 460 Ca 0.50 2.02 -0.11 0.00 0.70 0.00 0.00 55.95 59.05 2qms s SER 460 Cb -0.24 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.37 2qms s SER 460 CO 0.30 0.03 0.25 1.56 1.20 0.00 0.00 173.24 176.58 2qms h GLN 461 N 3.89 0.00 -0.45 5.44 4.20 -1.90 -3.16 115.11 123.13 2qms h GLN 461 Ca -0.46 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.29 2qms h GLN 461 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2qms h GLN 461 CO 0.67 0.38 0.30 0.00 -0.67 0.00 0.00 178.83 179.51 2qms h ARG 462 N -1.00 0.44 -2.67 1.46 3.08 -1.99 -3.33 114.38 110.36 2qms h ARG 462 Ca -0.02 -0.03 -0.60 0.00 0.07 0.00 0.00 59.98 59.41 2qms h ARG 462 Cb 0.44 -0.10 -0.39 0.00 0.08 0.00 0.00 29.97 30.00 2qms h ARG 462 CO -0.01 0.29 -0.83 -0.80 -1.07 0.00 0.00 179.97 177.55 2qms s ASN 463 N -6.56 2.86 0.10 7.04 0.01 -1.26 -5.01 114.94 112.13 2qms s ASN 463 Ca -0.08 -2.71 0.14 0.00 -0.71 0.00 0.00 52.86 49.50 2qms s ASN 463 Cb 0.18 -0.69 0.61 0.00 0.41 0.00 0.00 41.25 41.76 2qms s ASN 463 CO 0.73 -0.24 1.42 -2.65 -1.51 0.00 0.00 177.10 174.86 2qms n PRO 464 N 3.38 0.06 0.06 -0.60 -0.02 -1.19 0.89 135.00 137.57 2qms n PRO 464 Ca 0.17 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2qms n PRO 464 Cb 0.39 -1.65 0.50 0.00 -0.02 0.00 0.00 33.50 32.72 2qms n PRO 464 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qms n GLN 465 N -1.77 0.15 -3.15 -0.52 1.13 -1.26 -4.78 117.38 107.18 2qms n GLN 465 Ca 0.01 0.13 -0.18 0.00 -1.94 0.00 0.00 57.00 55.02 2qms n GLN 465 Cb 0.12 -1.68 -0.00 0.00 0.11 0.00 0.00 30.24 28.79 2qms n GLN 465 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qms n GLY 466 N 1.36 2.93 3.43 1.08 0.00 0.26 -4.63 105.19 109.61 2qms n GLY 466 Ca 0.06 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 2qms n GLY 466 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qms s PHE 467 N -1.88 1.91 -0.05 1.61 0.08 -0.29 -1.17 117.98 118.19 2qms s PHE 467 Ca 0.19 -0.81 0.01 0.00 0.12 0.00 0.00 56.93 56.44 2qms s PHE 467 Cb -0.02 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2qms s PHE 467 CO 0.12 0.15 -0.05 0.08 -0.10 0.00 0.00 175.22 175.42 2qms s VAL 468 N -3.16 0.62 -0.34 -0.44 1.01 0.10 -0.28 120.40 117.92 2qms s VAL 468 Ca 0.32 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 2qms s VAL 468 Cb 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2qms s VAL 468 CO 0.13 0.25 0.67 -0.22 0.00 0.00 0.00 175.10 175.93 2qms s LEU 469 N 0.92 4.19 -0.21 3.92 2.96 -0.19 -1.61 118.68 128.65 2qms s LEU 469 Ca -0.11 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2qms s LEU 469 Cb -0.14 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2qms s LEU 469 CO 0.00 -0.59 0.07 -0.44 -1.32 0.00 0.00 176.35 174.07 2qms s SER 470 N 1.74 5.42 -0.04 3.68 0.01 -0.33 -0.75 113.70 123.43 2qms s SER 470 Ca 0.27 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.49 2qms s SER 470 Cb -0.14 -1.95 0.02 0.00 0.21 0.00 0.00 66.02 64.16 2qms s SER 470 CO 0.14 0.09 -0.02 -0.22 0.41 0.00 0.00 173.24 173.64 2qms s LEU 471 N 0.88 1.18 -0.23 2.44 2.96 0.22 -1.83 118.68 124.31 2qms s LEU 471 Ca 0.04 -0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 2qms s LEU 471 Cb -0.14 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 2qms s LEU 471 CO 0.03 -0.09 0.62 0.00 -1.32 0.00 0.00 176.35 175.58 2qms s HIS 473 N 2.18 -0.00 -1.54 0.00 2.46 -0.46 0.64 115.29 118.57 2qms s HIS 473 Ca 0.27 0.06 -0.08 0.00 0.47 0.00 0.00 55.06 55.77 2qms s HIS 473 Cb -0.16 -0.05 0.07 0.00 -0.13 0.00 0.00 32.58 32.31 2qms s HIS 473 CO 0.09 -0.03 0.59 1.28 -2.47 0.00 0.00 174.74 174.21 2qms n LEU 474 N 3.36 -2.00 -1.73 8.88 4.77 -1.26 -0.35 117.00 128.66 2qms n LEU 474 Ca -0.16 -1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 54.67 2qms n LEU 474 Cb 0.57 -2.17 -0.04 0.00 -2.33 0.00 0.00 43.42 39.45 2qms n LEU 474 CO 0.25 0.38 -0.15 0.00 -1.33 0.00 0.00 177.39 176.53 2qms n GLN 475 N -4.42 -1.56 -4.39 3.23 6.02 -1.26 -4.97 117.38 110.03 2qms n GLN 475 Ca -0.13 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.36 2qms n GLN 475 Cb 0.60 -5.18 -0.11 0.00 1.02 0.00 0.00 30.24 26.57 2qms n GLN 475 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2qms s LYS 476 N -3.78 2.05 -0.18 -1.09 3.01 0.52 -5.09 119.74 115.18 2qms s LYS 476 Ca 0.00 -1.03 -0.05 0.00 -1.01 0.00 0.00 55.97 53.88 2qms s LYS 476 Cb 0.00 -2.23 -0.03 0.00 -1.01 0.00 0.00 37.83 34.56 2qms s LYS 476 CO 0.00 0.52 0.01 0.08 0.51 0.00 0.00 175.35 176.46 2qms s VAL 477 N -1.09 4.17 0.12 3.17 1.01 -1.26 -1.36 120.40 125.16 2qms s VAL 477 Ca 0.18 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.01 2qms s VAL 477 Cb -0.11 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2qms s VAL 477 CO 0.10 0.46 -0.25 -0.54 0.00 0.00 0.00 175.10 174.87 2qms s LYS 478 N 0.62 1.29 -0.09 2.72 1.02 -0.00 -4.94 119.74 120.36 2qms s LYS 478 Ca -0.00 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2qms s LYS 478 Cb -0.14 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 35.47 2qms s LYS 478 CO 0.02 0.40 -0.23 -1.01 -0.92 0.00 0.00 175.35 173.61 2qms s HIS 479 N -1.10 2.41 -0.20 3.18 3.76 -1.26 -0.61 115.29 121.47 2qms s HIS 479 Ca 0.11 -0.94 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 2qms s HIS 479 Cb -0.10 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 32.01 2qms s HIS 479 CO 0.05 -0.37 -0.17 0.71 -0.85 0.00 0.00 174.74 174.11 2qms s TYR 480 N 0.30 2.84 0.05 1.40 1.51 0.07 -4.96 117.35 118.56 2qms s TYR 480 Ca -0.16 -1.79 -0.30 0.00 -1.01 0.00 0.00 57.07 53.80 2qms s TYR 480 Cb -0.17 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 2qms s TYR 480 CO 0.08 -0.81 1.10 -1.17 -1.11 0.00 0.00 175.55 173.63 2qms s LEU 481 N 1.26 4.39 -0.25 -1.29 2.96 -1.26 -1.02 118.68 123.47 2qms s LEU 481 Ca 0.01 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.75 2qms s LEU 481 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 2qms s LEU 481 CO -0.10 -0.35 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.94 2qms s ILE 482 N 0.89 3.51 -0.03 6.68 1.01 0.61 -4.07 121.20 129.81 2qms s ILE 482 Ca 0.55 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.64 2qms s ILE 482 Cb -0.26 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2qms s ILE 482 CO 0.29 0.29 -0.16 -0.76 0.00 0.00 0.00 174.94 174.60 2qms s LEU 483 N 1.47 2.63 0.28 2.97 1.43 -0.22 -1.14 118.68 126.11 2qms s LEU 483 Ca 0.04 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 2qms s LEU 483 Cb -0.15 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2qms s LEU 483 CO -0.01 0.32 0.88 -2.16 0.23 0.00 0.00 176.35 175.60 2qms s PRO 484 N -0.87 4.50 0.31 1.29 0.04 -1.26 -1.95 135.00 137.06 2qms s PRO 484 Ca 0.12 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.43 2qms s PRO 484 Cb -0.11 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 2qms s PRO 484 CO 0.01 0.34 0.24 0.43 0.04 0.00 0.00 177.00 178.06 2qms n SER 485 N 0.69 -0.42 -3.98 6.66 7.64 0.10 -4.99 113.62 119.33 2qms n SER 485 Ca 0.00 -2.99 -0.14 0.00 1.01 0.00 0.00 58.87 56.75 2qms n SER 485 Cb 0.50 1.45 -0.13 0.00 -1.01 0.00 0.00 64.21 65.01 2qms n SER 485 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qms s GLU 486 N -3.25 0.40 -0.13 1.43 2.56 -1.26 -1.00 118.70 117.44 2qms s GLU 486 Ca 0.34 -0.34 -0.10 0.00 0.00 0.00 0.00 54.97 54.87 2qms s GLU 486 Cb 0.02 -0.31 0.04 0.00 2.00 0.00 0.00 34.13 35.88 2qms s GLU 486 CO 0.24 0.08 0.34 -2.00 -0.56 0.00 0.00 175.26 173.35 2qms s GLU 487 N -0.56 0.36 -1.52 4.30 2.12 -0.05 -4.93 118.70 118.42 2qms s GLU 487 Ca -0.02 0.54 -0.05 0.00 0.36 0.00 0.00 54.97 55.80 2qms s GLU 487 Cb -0.04 0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.50 2qms s GLU 487 CO -0.00 -0.09 0.13 0.39 -0.54 0.00 0.00 175.26 175.15 2qms n GLU 488 N 3.40 -0.89 -0.93 4.30 1.02 -1.26 -0.54 120.64 125.74 2qms n GLU 488 Ca -0.17 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2qms n GLU 488 Cb 0.56 -3.60 0.00 0.00 -0.02 0.00 0.00 31.44 28.39 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 -2.13 0.82 3.27 0.62 0.00 -1.26 -5.01 105.19 101.51 2qms n GLY 489 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2qms n GLY 489 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qms s ARG 490 N -0.07 2.30 0.24 1.61 6.06 0.30 -5.12 118.95 124.26 2qms s ARG 490 Ca 0.00 -0.89 -0.25 0.00 -2.50 0.00 0.00 55.73 52.09 2qms s ARG 490 Cb 0.00 -2.06 -0.09 0.00 0.06 0.00 0.00 34.95 32.87 2qms s ARG 490 CO 0.00 0.44 0.84 -1.17 -2.50 0.00 0.00 175.30 172.91 2qms s LEU 491 N -0.33 4.48 0.17 -0.88 2.96 -1.26 -0.87 118.68 122.95 2qms s LEU 491 Ca 0.02 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2qms s LEU 491 Cb -0.12 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2qms s LEU 491 CO 0.02 0.09 0.05 -0.72 -1.32 0.00 0.00 176.35 174.46 2qms s TYR 492 N -1.36 1.11 0.08 5.38 -0.85 -0.17 -4.69 117.35 116.84 2qms s TYR 492 Ca 0.42 -1.17 0.10 0.00 -0.52 0.00 0.00 57.07 55.90 2qms s TYR 492 Cb -0.21 -0.62 -0.03 0.00 0.38 0.00 0.00 41.96 41.48 2qms s TYR 492 CO 0.26 -0.40 -0.25 -0.06 -1.52 0.00 0.00 175.55 173.57 2qms s PHE 493 N -3.89 2.20 -0.18 -3.49 0.40 0.21 -0.72 117.98 112.52 2qms s PHE 493 Ca 0.28 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 2qms s PHE 493 Cb 0.07 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.39 2qms s PHE 493 CO 0.05 0.20 0.44 0.45 0.70 0.00 0.00 175.22 177.07 2qms s SER 494 N -1.58 -0.52 0.00 1.36 0.15 -0.82 -0.82 113.70 111.46 2qms s SER 494 Ca 0.11 0.93 0.23 0.00 0.70 0.00 0.00 55.95 57.93 2qms s SER 494 Cb -0.10 0.87 0.60 0.00 -1.71 0.00 0.00 66.02 65.68 2qms s SER 494 CO 0.04 -0.18 1.51 1.15 1.20 0.00 0.00 173.24 176.95 2qms n MET 495 N 3.70 2.65 -2.24 5.44 0.00 -1.26 -1.06 117.12 124.35 2qms n MET 495 Ca -0.19 -2.56 -0.13 0.00 0.00 0.00 0.00 57.70 54.82 2qms n MET 495 Cb 0.56 -1.56 0.04 0.00 0.00 0.00 0.00 33.22 32.26 2qms n MET 495 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2qms n ASP 496 N 1.61 3.49 -2.74 3.17 5.68 -1.26 -4.77 116.55 121.73 2qms n ASP 496 Ca 0.23 -3.09 -0.21 0.00 -0.50 0.00 0.00 54.79 51.22 2qms n ASP 496 Cb 0.62 -0.40 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.66 -5.75 0.00 -1.12 8.00 -1.26 -2.90 116.55 112.86 2qms n ASP 497 Ca 0.29 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2qms n ASP 497 Cb 0.90 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 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 -1.24 0.64 0.18 0.44 0.00 -1.26 -4.96 105.19 98.99 2qms n GLY 498 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2qms n GLY 498 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qms h GLN 499 N 4.42 0.54 -4.97 1.61 4.15 -1.96 -3.42 115.11 115.48 2qms h GLN 499 Ca 0.00 -0.25 -0.62 0.00 0.77 0.00 0.00 58.65 58.55 2qms h GLN 499 Cb 0.00 -0.01 -0.34 0.00 0.21 0.00 0.00 27.48 27.34 2qms h GLN 499 CO 0.00 0.82 -0.85 0.99 -1.93 0.00 0.00 178.83 177.86 2qms s THR 500 N -4.51 1.71 -0.02 2.39 2.01 -1.26 -5.10 115.64 110.85 2qms s THR 500 Ca -0.13 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2qms s THR 500 Cb 0.07 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 2qms s THR 500 CO 0.79 0.48 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.87 2qms s ARG 501 N 0.70 1.67 0.06 4.92 0.52 -1.26 -4.38 118.95 121.19 2qms s ARG 501 Ca -0.12 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2qms s ARG 501 Cb -0.16 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 2qms s ARG 501 CO 0.03 0.41 -0.12 -0.06 0.02 0.00 0.00 175.30 175.58 2qms s PHE 502 N -0.40 1.01 -0.10 -0.53 0.08 -0.01 -4.94 117.98 113.10 2qms s PHE 502 Ca 0.06 -0.49 0.14 0.00 0.12 0.00 0.00 56.93 56.76 2qms s PHE 502 Cb -0.08 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 2qms s PHE 502 CO -0.00 0.00 1.29 1.79 -0.10 0.00 0.00 175.22 178.20 2qms h THR 503 N 4.30 0.97 -3.22 0.64 1.35 -1.86 0.60 112.91 115.69 2qms h THR 503 Ca -0.39 -2.43 -0.04 0.00 -0.55 0.00 0.00 66.41 63.01 2qms h THR 503 Cb 1.19 2.44 -0.03 0.00 -1.73 0.00 0.00 68.15 70.03 2qms h THR 503 CO 0.41 0.55 0.16 1.51 -0.25 0.00 0.00 175.52 177.90 2qms s ASP 504 N -6.39 0.06 0.31 5.36 1.47 -1.26 -4.73 116.67 111.48 2qms s ASP 504 Ca 0.02 -1.04 0.04 0.00 1.18 0.00 0.00 52.55 52.76 2qms s ASP 504 Cb 0.08 0.77 0.51 0.00 -0.34 0.00 0.00 42.92 43.94 2qms s ASP 504 CO 0.77 -1.50 1.78 -0.07 0.68 0.00 0.00 175.17 176.84 2qms h LEU 505 N 2.04 0.43 -0.23 2.11 3.38 -1.99 -2.67 115.31 118.38 2qms h LEU 505 Ca -0.28 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2qms h LEU 505 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2qms h LEU 505 CO 0.35 0.64 0.14 0.25 0.09 0.00 0.00 178.44 179.91 2qms h LEU 506 N 0.40 0.23 -0.90 1.67 5.85 -1.99 0.27 115.31 120.84 2qms h LEU 506 Ca 0.07 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2qms h LEU 506 Cb 0.56 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2qms h LEU 506 CO 0.04 0.17 0.58 -0.61 -0.34 0.00 0.00 178.44 178.27 2qms h GLN 507 N 0.28 1.05 0.01 1.25 4.15 -1.90 0.96 115.11 120.90 2qms h GLN 507 Ca 0.09 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2qms h GLN 507 Cb -0.01 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.44 2qms h GLN 507 CO -0.03 0.69 -0.00 1.25 -1.93 0.00 0.00 178.83 178.80 2qms h LEU 508 N 1.08 -0.01 -0.18 -2.39 6.46 -1.11 -1.16 115.31 118.00 2qms h LEU 508 Ca 0.38 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 2qms h LEU 508 Cb 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2qms h LEU 508 CO -0.15 0.03 0.06 0.58 -0.62 0.00 0.00 178.44 178.34 2qms h VAL 509 N -0.05 1.17 -0.99 1.05 2.07 0.14 -2.56 116.25 117.09 2qms h VAL 509 Ca -0.00 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.06 2qms h VAL 509 Cb 0.05 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2qms h VAL 509 CO 0.00 0.16 0.64 -0.33 0.02 0.00 0.00 177.57 178.06 2qms h GLU 510 N 0.12 1.13 -0.63 1.57 5.08 -0.79 -0.58 114.58 120.48 2qms h GLU 510 Ca 0.06 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2qms h GLU 510 Cb 0.20 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2qms h GLU 510 CO -0.00 0.75 0.24 0.35 -1.00 0.00 0.00 179.01 179.34 2qms h PHE 511 N 1.16 0.95 -0.00 4.33 3.57 -0.97 -2.99 116.94 122.99 2qms h PHE 511 Ca 0.42 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2qms h PHE 511 Cb 0.15 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2qms h PHE 511 CO -0.01 0.74 -0.25 0.72 -2.23 0.00 0.00 178.31 177.28 2qms n HIS 512 N -4.30 0.00 0.20 0.41 8.25 -0.59 -1.46 115.22 117.73 2qms n HIS 512 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 2qms n HIS 512 Cb 0.18 -0.19 0.40 0.00 1.12 0.00 0.00 29.99 31.50 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 0.70 0.00 0.00 -0.41 4.20 -0.99 -1.66 115.11 116.95 2qms h GLN 513 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2qms h GLN 513 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2qms h GLN 513 CO 0.00 0.31 -1.51 1.28 -0.67 0.00 0.00 178.83 178.24 2qms n LEU 514 N -3.51 0.00 -4.04 1.46 4.77 -1.08 -4.56 117.00 110.04 2qms n LEU 514 Ca -0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2qms n LEU 514 Cb 0.46 0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 2qms n LEU 514 CO 0.35 0.06 -0.45 0.20 -1.33 0.00 0.00 177.39 176.21 2qms s ASN 515 N -3.41 1.44 0.10 -1.43 0.01 -0.54 -5.05 114.94 106.05 2qms s ASN 515 Ca -0.04 -0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 51.73 2qms s ASN 515 Cb 0.06 -0.35 -0.08 0.00 0.41 0.00 0.00 41.25 41.29 2qms s ASN 515 CO 0.41 0.10 1.44 0.03 -1.51 0.00 0.00 177.10 177.57 2qms h ARG 516 N 6.27 0.65 0.00 -0.60 3.08 -1.85 -3.35 114.38 118.58 2qms h ARG 516 Ca -0.33 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.41 2qms h ARG 516 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2qms h ARG 516 CO 0.49 0.90 0.00 0.41 -1.07 0.00 0.00 179.97 180.70 2qms n GLY 517 N 0.04 3.45 0.04 0.04 0.00 -1.26 -1.78 105.19 105.72 2qms n GLY 517 Ca -0.03 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -2.84 -0.61 -5.35 -1.26 -4.91 119.36 104.38 2qms n ILE 518 Ca 0.00 -0.02 -0.31 0.00 -0.27 0.00 0.00 62.75 62.15 2qms n ILE 518 Cb 0.00 -0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 37.72 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 -2.81 3.86 0.00 7.28 1.43 -0.74 -4.97 118.68 122.73 2qms s LEU 519 Ca 0.18 1.28 0.24 0.00 -1.03 0.00 0.00 54.13 54.81 2qms s LEU 519 Cb 0.19 -4.15 1.29 0.00 0.03 0.00 0.00 46.19 43.54 2qms s LEU 519 CO 0.56 -0.38 1.82 -0.81 0.23 0.00 0.00 176.35 177.77 2qms n PRO 520 N -1.08 0.44 -3.77 1.29 -0.04 -1.26 -4.83 135.00 125.75 2qms n PRO 520 Ca 0.04 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 2qms n PRO 520 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -3.01 3.21 -0.53 0.00 1.43 -1.26 -4.73 118.68 113.79 2qms s LEU 522 Ca 0.14 1.58 -0.26 0.00 -1.03 0.00 0.00 54.13 54.56 2qms s LEU 522 Cb -0.01 -4.49 0.03 0.00 0.03 0.00 0.00 46.19 41.75 2qms s LEU 522 CO 0.03 -1.22 1.01 -0.76 0.23 0.00 0.00 176.35 175.64 2qms s LEU 523 N -5.29 3.88 -0.12 1.79 1.43 -0.62 -4.50 118.68 115.24 2qms s LEU 523 Ca 0.58 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 2qms s LEU 523 Cb -0.13 -3.06 -0.11 0.00 0.03 0.00 0.00 46.19 42.92 2qms s LEU 523 CO 0.52 -1.25 -0.05 0.54 0.23 0.00 0.00 176.35 176.34 2qms n ARG 524 N 7.66 1.19 -3.79 1.70 1.74 -0.12 -4.34 116.66 120.70 2qms n ARG 524 Ca 0.05 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 2qms n ARG 524 Cb 0.48 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.27 0.79 0.06 -1.55 3.76 -0.67 -5.00 115.29 110.42 2qms s HIS 525 Ca -0.13 -0.26 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 2qms s HIS 525 Cb 0.04 -0.87 -0.07 0.00 1.11 0.00 0.00 32.58 32.79 2qms s HIS 525 CO 0.37 -0.36 1.41 0.00 -0.85 0.00 0.00 174.74 175.30 2qms s THR 528 N 2.08 0.87 -0.47 0.00 -1.32 -1.26 -4.56 115.64 110.98 2qms s THR 528 Ca 0.15 -2.01 0.05 0.00 -1.21 0.00 0.00 61.69 58.66 2qms s THR 528 Cb -0.16 -2.35 0.42 0.00 -1.51 0.00 0.00 72.50 68.90 2qms s THR 528 CO 0.10 -0.30 1.18 -2.11 -2.21 0.00 0.00 174.62 171.28 2qms n ARG 529 N -0.39 3.38 -5.13 7.08 1.85 -1.26 -5.00 116.66 117.19 2qms n ARG 529 Ca -0.04 -4.43 -0.30 0.00 -1.00 0.00 0.00 57.85 52.08 2qms n ARG 529 Cb 0.64 -2.25 -0.16 0.00 -1.05 0.00 0.00 32.46 29.64 2qms n ARG 529 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qms s VAL 530 N -5.48 1.86 -0.21 8.89 1.01 -1.26 -5.11 120.40 120.09 2qms s VAL 530 Ca 0.48 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 2qms s VAL 530 Cb 0.40 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2qms s VAL 530 CO -0.20 0.52 0.42 0.00 0.00 0.00 0.00 175.10 175.84 2qms s ALA 531 N -0.11 3.56 -2.91 5.51 0.00 -1.26 -5.21 121.76 121.34 2qms s ALA 531 Ca -0.03 -0.55 0.25 0.00 0.00 0.00 0.00 51.96 51.62 2qms s ALA 531 Cb -0.13 -2.69 0.35 0.00 0.00 0.00 0.00 23.12 20.65 2qms s ALA 531 CO 0.03 -0.40 1.35 1.28 0.00 0.00 0.00 175.76 178.02