#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 -0.44 -1.16 2.46 5.85 -2.04 -0.02 115.31 119.96 2qms h LEU 421 Ca 0.00 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2qms h LEU 421 Cb 0.00 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2qms h LEU 421 CO 0.00 -0.19 -0.14 0.77 -0.34 0.00 0.00 178.44 178.54 2qms h SER 422 N -0.19 0.40 -0.31 1.25 4.64 -2.02 -0.64 113.55 116.68 2qms h SER 422 Ca 0.08 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2qms h SER 422 Cb 0.30 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2qms h SER 422 CO -0.21 0.57 -0.06 0.00 -0.87 0.00 0.00 176.83 176.26 2qms h ALA 423 N 1.47 0.43 -0.20 5.18 0.00 -1.97 -1.55 119.26 122.63 2qms h ALA 423 Ca 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2qms h ALA 423 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2qms h ALA 423 CO 0.03 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.58 2qms h ALA 424 N 0.81 0.21 -0.45 0.00 0.00 -0.28 -3.27 119.26 116.28 2qms h ALA 424 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qms h ALA 424 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qms h ALA 424 CO 0.03 -0.37 0.00 0.44 0.00 0.00 0.00 179.25 179.35 2qms n ILE 425 N -5.05 0.66 -0.34 0.00 -5.35 -0.31 -4.68 119.36 104.28 2qms n ILE 425 Ca -0.03 -0.83 0.31 0.00 -0.27 0.00 0.00 62.75 61.93 2qms n ILE 425 Cb 0.08 0.82 0.58 0.00 -1.74 0.00 0.00 39.64 39.37 2qms n ILE 425 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2qms h HIS 426 N 3.95 0.81 -0.20 4.28 2.07 -1.33 0.28 115.15 125.00 2qms h HIS 426 Ca 0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2qms h HIS 426 Cb 0.92 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.71 2qms h HIS 426 CO 0.29 -0.38 0.00 -2.13 -3.07 0.00 0.00 177.93 172.64 2qms n ARG 427 N -5.13 2.19 -2.80 5.12 3.00 -1.26 -4.92 116.66 112.86 2qms n ARG 427 Ca 0.37 -1.78 -0.39 0.00 -0.00 0.00 0.00 57.85 56.05 2qms n ARG 427 Cb 1.25 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 32.18 2qms n ARG 427 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qms s THR 428 N -1.76 4.16 -0.67 5.15 2.01 0.97 -5.02 115.64 120.47 2qms s THR 428 Ca 0.34 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.30 2qms s THR 428 Cb 0.21 -4.21 0.17 0.00 0.01 0.00 0.00 72.50 68.67 2qms s THR 428 CO 0.30 0.41 0.48 -1.10 -0.69 0.00 0.00 174.62 174.02 2qms s GLN 429 N -1.41 2.56 0.00 4.92 -1.52 -1.26 -4.95 119.66 117.99 2qms s GLN 429 Ca 0.43 -2.88 0.27 0.00 -1.95 0.00 0.00 55.36 51.22 2qms s GLN 429 Cb -0.24 -3.62 1.25 0.00 -0.22 0.00 0.00 33.01 30.19 2qms s GLN 429 CO 0.29 -1.20 1.90 1.28 -0.25 0.00 0.00 175.29 177.30 2qms n LEU 430 N 2.83 0.00 0.20 2.90 4.77 -1.26 -3.35 117.00 123.09 2qms n LEU 430 Ca 0.12 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 2qms n LEU 430 Cb 0.36 -0.41 0.35 0.00 -2.33 0.00 0.00 43.42 41.39 2qms n LEU 430 CO 0.33 -0.03 0.87 4.11 -1.33 0.00 0.00 177.39 181.33 2qms h TRP 431 N 0.00 0.00 -3.35 -1.77 5.08 -1.91 -3.43 115.95 110.57 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 0.37 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.46 2qms h TRP 431 CO 0.00 0.00 0.27 0.12 -1.28 0.00 0.00 178.44 177.55 2qms s PHE 432 N -3.29 3.42 -1.03 0.12 5.36 -1.21 -1.41 117.98 119.94 2qms s PHE 432 Ca 0.06 1.16 0.10 0.00 -0.96 0.00 0.00 56.93 57.29 2qms s PHE 432 Cb 0.08 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.85 2qms s PHE 432 CO 0.61 -0.18 0.69 0.72 -1.46 0.00 0.00 175.22 175.59 2qms n HIS 433 N 5.01 0.00 -4.77 10.12 8.25 -0.09 -4.98 115.22 128.76 2qms n HIS 433 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2qms n HIS 433 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.81 2.07 3.56 -1.41 0.00 -1.26 -4.33 105.19 104.64 2qms n GLY 434 Ca 0.05 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 3.89 0.16 1.61 3.52 -1.26 -0.95 118.95 125.92 2qms s ARG 435 Ca 0.00 -1.81 0.08 0.00 -0.13 0.00 0.00 55.73 53.87 2qms s ARG 435 Cb 0.00 -5.45 -0.04 0.00 -1.56 0.00 0.00 34.95 27.90 2qms s ARG 435 CO 0.00 -2.20 -0.17 0.96 -0.81 0.00 0.00 175.30 173.08 2qms s ILE 436 N 4.22 1.70 0.73 4.11 -4.36 -1.26 -4.99 121.20 121.34 2qms s ILE 436 Ca 0.51 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 2qms s ILE 436 Cb 0.02 -1.81 0.04 0.00 1.25 0.00 0.00 42.46 41.96 2qms s ILE 436 CO 0.03 -0.38 1.09 -0.94 0.24 0.00 0.00 174.94 174.97 2qms s SER 437 N -2.73 5.07 0.17 4.36 1.04 -1.26 -4.58 113.70 115.77 2qms s SER 437 Ca 0.15 0.87 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 2qms s SER 437 Cb -0.05 -1.57 0.11 0.00 0.10 0.00 0.00 66.02 64.61 2qms s SER 437 CO 0.06 -1.53 1.79 -0.09 0.98 0.00 0.00 173.24 174.45 2qms h ARG 438 N -0.72 0.46 -0.44 4.02 2.43 -2.00 -1.46 114.38 116.68 2qms h ARG 438 Ca -0.45 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2qms h ARG 438 Cb 1.29 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2qms h ARG 438 CO 0.64 0.30 0.25 0.93 -1.51 0.00 0.00 179.97 180.58 2qms h GLU 439 N 0.47 0.48 -0.51 0.20 3.07 -1.99 -1.78 114.58 114.53 2qms h GLU 439 Ca 0.20 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 2qms h GLU 439 Cb 0.10 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2qms h GLU 439 CO -0.14 0.32 -0.08 1.49 -1.40 0.00 0.00 179.01 179.20 2qms h GLU 440 N 0.49 0.95 -0.73 2.33 4.81 -1.85 -0.25 114.58 120.33 2qms h GLU 440 Ca 0.18 -0.34 0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2qms h GLU 440 Cb 0.04 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 2qms h GLU 440 CO -0.10 1.00 0.27 0.66 -0.73 0.00 0.00 179.01 180.12 2qms h SER 441 N 0.81 0.22 -0.29 1.04 4.64 -0.98 0.58 113.55 119.57 2qms h SER 441 Ca 0.13 0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 2qms h SER 441 Cb 0.63 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2qms h SER 441 CO 0.04 0.08 -0.03 -0.61 -0.87 0.00 0.00 176.83 175.43 2qms h GLN 442 N 0.40 0.53 -0.32 4.77 -0.00 -0.95 0.47 115.11 120.03 2qms h GLN 442 Ca 0.40 -0.19 0.06 0.00 -0.00 0.00 0.00 58.65 58.92 2qms h GLN 442 Cb 0.62 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.01 2qms h GLN 442 CO -0.41 0.71 -0.02 -0.09 0.00 0.00 0.00 178.83 179.01 2qms h ARG 443 N 0.31 0.06 -0.24 1.69 2.43 -0.47 -1.65 114.38 116.50 2qms h ARG 443 Ca 0.08 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2qms h ARG 443 Cb 0.49 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2qms h ARG 443 CO 0.02 0.04 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.27 2qms h LEU 444 N 0.07 0.58 -0.68 3.80 3.38 -0.61 -2.31 115.31 119.53 2qms h LEU 444 Ca 0.15 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.76 2qms h LEU 444 Cb 0.21 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2qms h LEU 444 CO -0.28 0.90 0.35 0.40 0.09 0.00 0.00 178.44 179.90 2qms h ILE 445 N 0.26 0.89 -0.56 1.22 1.08 -0.85 -2.20 117.51 117.35 2qms h ILE 445 Ca 0.05 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.37 2qms h ILE 445 Cb 0.71 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 2qms h ILE 445 CO 0.05 0.11 0.25 1.23 -0.69 0.00 0.00 178.15 179.10 2qms h GLY 446 N 0.61 0.79 2.00 5.37 0.00 -1.08 -2.30 103.07 108.46 2qms h GLY 446 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2qms h GLY 446 CO -0.24 0.05 -0.07 1.46 0.00 0.00 0.00 176.54 177.74 2qms h GLN 447 N 0.46 0.00 -0.78 4.80 4.20 -0.86 -2.53 115.11 120.40 2qms h GLN 447 Ca 0.27 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.53 2qms h GLN 447 Cb 0.25 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.78 2qms h GLN 447 CO -0.23 0.07 0.36 1.04 -0.67 0.00 0.00 178.83 179.40 2qms n GLN 448 N -3.26 2.32 -0.62 1.46 6.02 -0.88 -4.94 117.38 117.47 2qms n GLN 448 Ca -0.01 -3.22 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 2qms n GLN 448 Cb 0.28 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.44 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 -1.06 0.75 4.23 1.08 0.00 -0.95 -3.94 105.19 105.30 2qms n GLY 449 Ca 0.51 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.63 -4.74 0.99 4.77 -0.93 -4.87 117.00 110.60 2qms n LEU 450 Ca 0.00 -1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 54.51 2qms n LEU 450 Cb 0.00 -2.02 -0.03 0.00 -2.33 0.00 0.00 43.42 39.04 2qms n LEU 450 CO 0.00 0.30 1.01 -0.69 -1.33 0.00 0.00 177.39 176.67 2qms s VAL 451 N -3.43 3.05 0.16 4.08 1.01 -1.25 -4.37 120.40 119.64 2qms s VAL 451 Ca 0.62 0.89 -0.34 0.00 0.00 0.00 0.00 61.98 63.14 2qms s VAL 451 Cb -0.34 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.33 2qms s VAL 451 CO 0.94 0.14 1.47 -0.67 0.00 0.00 0.00 175.10 176.99 2qms n ASP 452 N 2.39 2.62 0.00 3.32 -0.08 -1.26 -1.67 116.55 121.87 2qms n ASP 452 Ca 0.06 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 2qms n ASP 452 Cb 0.42 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.52 2qms n ASP 452 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qms n GLY 453 N 2.94 0.62 3.73 0.27 0.00 0.39 -4.76 105.19 108.38 2qms n GLY 453 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.45 0.17 0.99 2.96 -0.67 -1.18 118.68 125.40 2qms s LEU 454 Ca 0.00 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.84 2qms s LEU 454 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2qms s LEU 454 CO 0.00 -0.29 0.36 0.72 -1.32 0.00 0.00 176.35 175.83 2qms s PHE 455 N 0.15 0.23 0.15 5.38 -0.71 0.33 -1.47 117.98 122.02 2qms s PHE 455 Ca 0.52 -0.58 -0.18 0.00 -1.04 0.00 0.00 56.93 55.65 2qms s PHE 455 Cb -0.29 0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2qms s PHE 455 CO 0.33 -0.79 0.46 -0.48 -1.34 0.00 0.00 175.22 173.41 2qms s LEU 456 N -2.94 0.14 -0.03 -1.99 0.05 -0.30 -0.39 118.68 113.23 2qms s LEU 456 Ca 0.14 -0.29 0.07 0.00 0.05 0.00 0.00 54.13 54.11 2qms s LEU 456 Cb 0.02 2.05 -0.02 0.00 -2.05 0.00 0.00 46.19 46.19 2qms s LEU 456 CO -0.01 -0.91 -0.23 -0.69 -0.55 0.00 0.00 176.35 173.95 2qms s VAL 457 N -3.81 1.87 0.33 1.48 1.01 -0.50 -0.73 120.40 120.05 2qms s VAL 457 Ca 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2qms s VAL 457 Cb 0.01 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2qms s VAL 457 CO -0.10 0.53 0.45 0.00 0.00 0.00 0.00 175.10 175.97 2qms s ARG 458 N -0.42 1.84 0.17 2.72 1.70 -0.40 -0.91 118.95 123.64 2qms s ARG 458 Ca 0.05 -1.72 -0.26 0.00 -0.47 0.00 0.00 55.73 53.34 2qms s ARG 458 Cb -0.10 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 2qms s ARG 458 CO 0.00 -0.75 0.79 -1.21 -1.08 0.00 0.00 175.30 173.05 2qms s GLU 459 N -3.21 4.59 0.25 3.89 2.02 -0.13 -0.08 118.70 126.04 2qms s GLU 459 Ca 0.31 1.18 -0.30 0.00 0.02 0.00 0.00 54.97 56.18 2qms s GLU 459 Cb 0.00 -3.27 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 2qms s GLU 459 CO 0.19 0.56 1.11 0.45 0.02 0.00 0.00 175.26 177.59 2qms s SER 460 N -1.11 7.25 -0.12 -0.19 0.15 -0.82 -4.51 113.70 114.36 2qms s SER 460 Ca 0.36 2.23 -0.10 0.00 0.70 0.00 0.00 55.95 59.14 2qms s SER 460 Cb -0.23 -2.62 -0.26 0.00 -1.71 0.00 0.00 66.02 61.19 2qms s SER 460 CO 0.27 -0.18 0.42 0.06 1.20 0.00 0.00 173.24 175.01 2qms h GLN 461 N 4.20 0.26 0.00 5.44 3.07 -1.90 -3.21 115.11 122.97 2qms h GLN 461 Ca -0.46 -0.44 -0.08 0.00 0.09 0.00 0.00 58.65 57.77 2qms h GLN 461 Cb 1.21 0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.92 2qms h GLN 461 CO 0.69 1.21 -0.36 0.00 0.09 0.00 0.00 178.83 180.46 2qms h ARG 462 N -0.09 0.00 -2.10 0.06 3.08 -1.99 -3.37 114.38 109.96 2qms h ARG 462 Ca -0.39 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.12 2qms h ARG 462 Cb 1.93 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 31.62 2qms h ARG 462 CO 0.07 0.36 -0.97 0.09 -1.07 0.00 0.00 179.97 178.44 2qms n ASN 463 N -3.66 -0.57 0.28 7.04 3.02 -1.26 -5.03 115.26 115.10 2qms n ASN 463 Ca -0.01 -2.52 0.19 0.00 -0.03 0.00 0.00 54.58 52.21 2qms n ASN 463 Cb 0.47 -0.36 1.00 0.00 -0.61 0.00 0.00 39.78 40.27 2qms n ASN 463 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2qms h PRO 464 N 5.07 0.00 0.00 3.52 0.11 -1.73 0.80 132.00 139.78 2qms h PRO 464 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2qms h PRO 464 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2qms h PRO 464 CO 0.37 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 2qms n GLN 465 N -2.85 0.12 -2.51 1.05 1.13 -1.26 -4.78 117.38 108.28 2qms n GLN 465 Ca -0.02 0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.06 2qms n GLN 465 Cb 0.09 -1.66 0.02 0.00 0.11 0.00 0.00 30.24 28.80 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 1.14 2.46 3.21 1.08 0.00 0.28 -4.65 105.19 108.70 2qms n GLY 466 Ca 0.06 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.32 1.09 -0.04 1.61 0.08 0.08 -1.94 117.98 117.54 2qms s PHE 467 Ca 0.25 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2qms s PHE 467 Cb -0.02 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 2qms s PHE 467 CO 0.16 -0.14 -0.06 0.08 -0.10 0.00 0.00 175.22 175.16 2qms s VAL 468 N -3.59 0.66 -0.32 -0.44 1.01 0.89 -0.43 120.40 118.19 2qms s VAL 468 Ca 0.18 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2qms s VAL 468 Cb 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2qms s VAL 468 CO -0.00 0.24 0.60 -0.22 0.00 0.00 0.00 175.10 175.72 2qms s LEU 469 N 0.69 4.18 -0.22 3.92 2.96 -0.02 -1.28 118.68 128.92 2qms s LEU 469 Ca -0.10 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 2qms s LEU 469 Cb -0.13 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 2qms s LEU 469 CO 0.01 -0.48 0.03 -0.44 -1.32 0.00 0.00 176.35 174.15 2qms s SER 470 N 1.68 4.94 -0.01 3.68 0.01 0.09 -0.82 113.70 123.26 2qms s SER 470 Ca 0.24 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2qms s SER 470 Cb -0.15 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.23 2qms s SER 470 CO 0.12 0.02 0.02 -0.22 0.41 0.00 0.00 173.24 173.59 2qms s LEU 471 N 1.27 1.46 -0.10 2.44 2.96 -0.77 -1.15 118.68 124.79 2qms s LEU 471 Ca 0.04 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 2qms s LEU 471 Cb -0.15 -0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 2qms s LEU 471 CO 0.02 -0.08 0.26 0.00 -1.32 0.00 0.00 176.35 175.24 2qms s HIS 473 N -0.47 -1.10 -1.46 0.00 5.04 -0.60 -0.46 115.29 116.23 2qms s HIS 473 Ca 0.17 2.15 -0.08 0.00 -1.54 0.00 0.00 55.06 55.76 2qms s HIS 473 Cb -0.14 0.66 0.04 0.00 0.04 0.00 0.00 32.58 33.18 2qms s HIS 473 CO 0.06 -0.54 0.77 1.28 -2.34 0.00 0.00 174.74 173.97 2qms n LEU 474 N 4.46 -2.55 -1.56 8.88 4.77 -1.26 -2.09 117.00 127.66 2qms n LEU 474 Ca -0.19 -0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 55.14 2qms n LEU 474 Cb 0.58 -2.73 -0.07 0.00 -2.33 0.00 0.00 43.42 38.87 2qms n LEU 474 CO -0.02 0.34 -0.19 0.00 -1.33 0.00 0.00 177.39 176.19 2qms n GLN 475 N -4.29 -1.36 -5.02 3.23 6.02 -1.26 -4.98 117.38 109.73 2qms n GLN 475 Ca -0.04 1.14 -0.32 0.00 -0.01 0.00 0.00 57.00 57.77 2qms n GLN 475 Cb 0.57 -5.49 -0.15 0.00 1.02 0.00 0.00 30.24 26.20 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 -3.79 2.72 -0.16 -1.09 -0.14 -0.89 -5.07 119.74 111.32 2qms s LYS 476 Ca 0.00 -0.78 -0.17 0.00 -1.36 0.00 0.00 55.97 53.66 2qms s LYS 476 Cb 0.00 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.76 2qms s LYS 476 CO 0.00 0.43 0.43 0.08 -0.76 0.00 0.00 175.35 175.53 2qms s VAL 477 N -0.26 5.20 0.17 3.17 1.01 -1.26 -1.56 120.40 126.88 2qms s VAL 477 Ca 0.00 0.81 0.11 0.00 0.00 0.00 0.00 61.98 62.90 2qms s VAL 477 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2qms s VAL 477 CO 0.03 0.29 -0.24 -0.54 0.00 0.00 0.00 175.10 174.64 2qms s LYS 478 N 0.97 1.45 -0.08 2.72 -0.14 -0.43 -4.97 119.74 119.27 2qms s LYS 478 Ca 0.22 -1.47 0.05 0.00 -1.36 0.00 0.00 55.97 53.41 2qms s LYS 478 Cb -0.15 -1.77 -0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2qms s LYS 478 CO 0.08 0.39 -0.24 -1.01 -0.76 0.00 0.00 175.35 173.81 2qms s HIS 479 N -1.59 2.49 -0.17 3.18 3.76 -1.26 -1.84 115.29 119.86 2qms s HIS 479 Ca 0.18 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 2qms s HIS 479 Cb -0.08 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.98 2qms s HIS 479 CO 0.09 -0.34 -0.16 0.71 -0.85 0.00 0.00 174.74 174.19 2qms s TYR 480 N 0.14 2.51 -0.25 1.40 1.51 -0.00 -4.97 117.35 117.69 2qms s TYR 480 Ca -0.13 -1.50 -0.26 0.00 -1.01 0.00 0.00 57.07 54.17 2qms s TYR 480 Cb -0.16 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 2qms s TYR 480 CO 0.07 -0.75 0.91 -1.17 -1.11 0.00 0.00 175.55 173.50 2qms s LEU 481 N 1.37 4.08 -0.29 -1.29 2.96 -1.26 -0.84 118.68 123.41 2qms s LEU 481 Ca 0.04 1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 2qms s LEU 481 Cb -0.14 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2qms s LEU 481 CO -0.11 -0.59 0.20 -0.63 -1.32 0.00 0.00 176.35 173.89 2qms s ILE 482 N 3.01 5.30 -0.04 6.68 1.01 0.43 -4.11 121.20 133.48 2qms s ILE 482 Ca 0.38 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.20 2qms s ILE 482 Cb -0.15 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2qms s ILE 482 CO 0.08 0.22 -0.17 -0.76 0.00 0.00 0.00 174.94 174.30 2qms s LEU 483 N 1.75 2.57 0.28 2.97 1.43 -0.66 -0.74 118.68 126.29 2qms s LEU 483 Ca 0.07 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 2qms s LEU 483 Cb -0.16 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2qms s LEU 483 CO 0.11 0.34 0.97 -2.16 0.23 0.00 0.00 176.35 175.84 2qms s PRO 484 N -0.72 4.69 0.27 1.29 0.04 -1.26 -1.87 135.00 137.44 2qms s PRO 484 Ca 0.11 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2qms s PRO 484 Cb -0.10 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2qms s PRO 484 CO 0.00 0.35 0.15 -1.12 0.04 0.00 0.00 177.00 176.42 2qms s SER 485 N -1.30 1.12 0.06 6.66 0.01 -0.41 -5.01 113.70 114.83 2qms s SER 485 Ca 0.46 -1.50 0.06 0.00 1.31 0.00 0.00 55.95 56.27 2qms s SER 485 Cb -0.24 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 2qms s SER 485 CO 0.30 -0.87 -0.16 -0.70 0.41 0.00 0.00 173.24 172.23 2qms s GLU 486 N -3.91 0.95 -0.16 12.44 2.56 -1.26 -1.21 118.70 128.11 2qms s GLU 486 Ca 0.37 -0.90 -0.13 0.00 0.00 0.00 0.00 54.97 54.32 2qms s GLU 486 Cb 0.06 -1.00 0.05 0.00 2.00 0.00 0.00 34.13 35.23 2qms s GLU 486 CO 0.16 0.24 0.42 -2.00 -0.56 0.00 0.00 175.26 173.53 2qms s GLU 487 N -1.46 0.46 -1.80 4.30 2.12 -0.14 -4.93 118.70 117.26 2qms s GLU 487 Ca 0.01 0.66 -0.19 0.00 0.36 0.00 0.00 54.97 55.81 2qms s GLU 487 Cb -0.09 0.15 0.19 0.00 0.26 0.00 0.00 34.13 34.64 2qms s GLU 487 CO 0.02 -0.09 0.54 0.39 -0.54 0.00 0.00 175.26 175.58 2qms n GLU 488 N 3.33 -1.19 -0.33 4.30 1.02 -1.26 0.62 120.64 127.13 2qms n GLU 488 Ca -0.17 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2qms n GLU 488 Cb 0.56 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.37 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 -1.35 1.63 3.49 0.62 0.00 -1.26 -5.02 105.19 103.30 2qms n GLY 489 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.25 3.27 0.24 1.61 0.52 0.20 -5.10 118.95 119.43 2qms s ARG 490 Ca 0.00 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 2qms s ARG 490 Cb 0.00 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 2qms s ARG 490 CO 0.00 0.38 1.15 -1.17 0.02 0.00 0.00 175.30 175.68 2qms s LEU 491 N -0.04 4.50 0.10 2.53 0.20 -1.26 -0.97 118.68 123.73 2qms s LEU 491 Ca -0.00 2.27 -0.01 0.00 0.69 0.00 0.00 54.13 57.07 2qms s LEU 491 Cb -0.14 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.97 2qms s LEU 491 CO 0.03 -0.27 0.03 -0.72 -0.29 0.00 0.00 176.35 175.13 2qms s TYR 492 N -0.63 0.71 -0.01 5.38 -0.85 -0.35 -4.73 117.35 116.88 2qms s TYR 492 Ca 0.49 -1.15 0.07 0.00 -0.52 0.00 0.00 57.07 55.95 2qms s TYR 492 Cb -0.32 -0.43 -0.02 0.00 0.38 0.00 0.00 41.96 41.56 2qms s TYR 492 CO 0.40 -0.47 -0.21 -0.06 -1.52 0.00 0.00 175.55 173.69 2qms s PHE 493 N -3.99 2.49 -0.15 -3.49 0.40 0.20 -1.29 117.98 112.15 2qms s PHE 493 Ca 0.17 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 56.05 2qms s PHE 493 Cb 0.08 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 42.12 2qms s PHE 493 CO -0.03 0.10 0.39 0.45 0.70 0.00 0.00 175.22 176.83 2qms s SER 494 N -0.85 -0.41 -0.03 1.36 0.15 -0.78 -1.08 113.70 112.06 2qms s SER 494 Ca 0.11 0.78 0.11 0.00 0.70 0.00 0.00 55.95 57.66 2qms s SER 494 Cb -0.10 0.79 0.33 0.00 -1.71 0.00 0.00 66.02 65.33 2qms s SER 494 CO 0.01 -0.14 1.27 1.15 1.20 0.00 0.00 173.24 176.74 2qms n MET 495 N 2.93 2.89 -2.50 5.44 0.00 -1.26 -1.65 117.12 122.97 2qms n MET 495 Ca -0.14 -2.16 -0.13 0.00 0.00 0.00 0.00 57.70 55.27 2qms n MET 495 Cb 0.57 -1.35 0.03 0.00 0.00 0.00 0.00 33.22 32.47 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 0.33 3.07 -2.73 3.17 5.68 -1.26 -4.74 116.55 120.06 2qms n ASP 496 Ca 0.13 -2.95 -0.21 0.00 -0.50 0.00 0.00 54.79 51.27 2qms n ASP 496 Cb 0.49 -0.44 0.03 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.51 -5.77 0.00 -1.12 8.00 -1.26 -2.63 116.55 113.25 2qms n ASP 497 Ca 0.24 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2qms n ASP 497 Cb 0.83 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 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 -1.43 0.92 0.33 0.44 0.00 -1.26 -4.94 105.19 99.25 2qms n GLY 498 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 3.77 1.09 -4.53 1.61 4.20 -1.93 -3.42 115.11 115.90 2qms h GLN 499 Ca 0.00 -0.22 -0.51 0.00 0.06 0.00 0.00 58.65 57.98 2qms h GLN 499 Cb 0.00 -0.17 -0.33 0.00 0.30 0.00 0.00 27.48 27.28 2qms h GLN 499 CO 0.00 0.92 -0.81 0.99 -0.67 0.00 0.00 178.83 179.26 2qms s THR 500 N -5.41 1.12 -0.01 -0.54 2.01 -1.26 -5.11 115.64 106.44 2qms s THR 500 Ca -0.12 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.46 2qms s THR 500 Cb 0.15 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2qms s THR 500 CO 0.83 0.35 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.83 2qms s ARG 501 N 0.67 1.27 0.01 4.92 0.52 -1.26 -4.41 118.95 120.66 2qms s ARG 501 Ca -0.14 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 2qms s ARG 501 Cb -0.16 -1.21 -0.01 0.00 0.52 0.00 0.00 34.95 34.09 2qms s ARG 501 CO 0.04 0.31 -0.09 -0.06 0.02 0.00 0.00 175.30 175.52 2qms s PHE 502 N -0.30 0.78 0.28 -0.53 0.08 -0.24 -4.93 117.98 113.12 2qms s PHE 502 Ca 0.05 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.91 2qms s PHE 502 Cb -0.06 -0.48 0.42 0.00 -0.57 0.00 0.00 43.02 42.33 2qms s PHE 502 CO -0.00 -0.02 1.70 1.79 -0.10 0.00 0.00 175.22 178.59 2qms h THR 503 N 4.80 1.29 -3.39 0.64 1.35 -1.87 0.58 112.91 116.30 2qms h THR 503 Ca -0.32 -1.40 -0.08 0.00 -0.55 0.00 0.00 66.41 64.06 2qms h THR 503 Cb 1.19 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 69.09 2qms h THR 503 CO 0.47 0.43 0.09 1.51 -0.25 0.00 0.00 175.52 177.77 2qms s ASP 504 N -6.85 0.19 0.22 5.36 1.47 -1.26 -4.65 116.67 111.15 2qms s ASP 504 Ca -0.06 -1.12 -0.09 0.00 1.18 0.00 0.00 52.55 52.46 2qms s ASP 504 Cb 0.13 0.74 0.19 0.00 -0.34 0.00 0.00 42.92 43.65 2qms s ASP 504 CO 0.78 -1.45 1.89 -0.07 0.68 0.00 0.00 175.17 177.00 2qms h LEU 505 N 2.07 0.92 -0.60 2.11 3.38 -1.99 -2.70 115.31 118.49 2qms h LEU 505 Ca -0.28 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2qms h LEU 505 Cb 1.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2qms h LEU 505 CO 0.37 0.66 0.39 0.25 0.09 0.00 0.00 178.44 180.19 2qms h LEU 506 N 1.09 0.65 -1.15 1.67 5.85 -1.98 0.85 115.31 122.28 2qms h LEU 506 Ca 0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2qms h LEU 506 Cb -0.10 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2qms h LEU 506 CO -0.07 0.46 0.54 -0.61 -0.34 0.00 0.00 178.44 178.42 2qms h GLN 507 N 0.77 1.11 -0.05 1.25 4.15 -1.92 0.29 115.11 120.72 2qms h GLN 507 Ca 0.23 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2qms h GLN 507 Cb -0.04 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 2qms h GLN 507 CO -0.07 0.75 0.01 1.25 -1.93 0.00 0.00 178.83 178.84 2qms h LEU 508 N 1.14 0.07 -0.35 -2.39 6.46 -0.95 -0.51 115.31 118.79 2qms h LEU 508 Ca 0.31 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 2qms h LEU 508 Cb -0.11 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2qms h LEU 508 CO -0.06 0.27 -0.01 0.58 -0.62 0.00 0.00 178.44 178.59 2qms h VAL 509 N -0.13 1.26 -0.74 1.05 2.07 -0.56 -2.02 116.25 117.19 2qms h VAL 509 Ca 0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2qms h VAL 509 Cb 0.22 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2qms h VAL 509 CO -0.00 0.33 0.36 -0.33 0.02 0.00 0.00 177.57 177.95 2qms h GLU 510 N 0.42 1.05 -0.35 1.57 5.08 -0.34 0.14 114.58 122.15 2qms h GLU 510 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2qms h GLU 510 Cb 0.48 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2qms h GLU 510 CO 0.02 0.81 0.16 0.35 -1.00 0.00 0.00 179.01 179.35 2qms h PHE 511 N 1.05 0.51 0.00 4.33 3.57 -0.95 -3.16 116.94 122.29 2qms h PHE 511 Ca 0.26 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2qms h PHE 511 Cb 0.10 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2qms h PHE 511 CO 0.01 0.45 -0.06 0.72 -2.23 0.00 0.00 178.31 177.20 2qms n HIS 512 N -4.72 0.17 0.28 0.41 8.25 -0.77 -1.09 115.22 117.74 2qms n HIS 512 Ca -0.01 0.05 0.14 0.00 -0.26 0.00 0.00 57.72 57.64 2qms n HIS 512 Cb 0.11 -0.56 0.81 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.72 -1.72 115.11 116.46 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 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2qms h GLN 513 CO 0.00 0.06 -1.34 1.28 -0.67 0.00 0.00 178.83 178.16 2qms n LEU 514 N -3.76 0.00 -4.00 1.46 4.77 -0.83 -4.60 117.00 110.03 2qms n LEU 514 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 2qms n LEU 514 Cb 0.16 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.14 2qms n LEU 514 CO 0.29 0.04 -0.45 0.20 -1.33 0.00 0.00 177.39 176.15 2qms s ASN 515 N -3.06 1.40 0.00 -1.43 0.01 -0.25 -5.07 114.94 106.55 2qms s ASN 515 Ca -0.03 -0.22 -0.21 0.00 -0.71 0.00 0.00 52.86 51.70 2qms s ASN 515 Cb 0.04 -0.50 -0.21 0.00 0.41 0.00 0.00 41.25 40.99 2qms s ASN 515 CO 0.27 0.05 1.15 0.03 -1.51 0.00 0.00 177.10 177.09 2qms h ARG 516 N 6.66 0.36 0.00 -0.60 3.08 -1.86 -3.34 114.38 118.68 2qms h ARG 516 Ca -0.33 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.39 2qms h ARG 516 Cb 1.17 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2qms h ARG 516 CO 0.48 0.98 0.00 0.41 -1.07 0.00 0.00 179.97 180.77 2qms n GLY 517 N 0.83 3.10 0.22 0.04 0.00 -1.26 -1.72 105.19 106.41 2qms n GLY 517 Ca -0.09 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.14 2qms n GLY 517 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2qms h ILE 518 N 0.00 0.00 -3.98 -0.61 3.07 -1.99 -3.46 117.51 110.54 2qms h ILE 518 Ca 0.00 -0.42 -0.49 0.00 1.55 0.00 0.00 64.86 65.50 2qms h ILE 518 Cb 0.00 1.33 0.03 0.00 -0.27 0.00 0.00 36.82 37.90 2qms h ILE 518 CO 0.00 0.00 0.43 -0.76 -1.05 0.00 0.00 178.15 176.77 2qms s LEU 519 N -5.54 4.08 0.25 0.16 1.43 -0.70 -4.96 118.68 113.40 2qms s LEU 519 Ca 0.03 2.09 0.24 0.00 -1.03 0.00 0.00 54.13 55.46 2qms s LEU 519 Cb 0.09 -4.23 0.95 0.00 0.03 0.00 0.00 46.19 43.02 2qms s LEU 519 CO 0.49 -0.62 1.73 -0.81 0.23 0.00 0.00 176.35 177.38 2qms n PRO 520 N -0.25 0.22 -3.84 1.29 -0.04 -1.26 -4.83 135.00 126.29 2qms n PRO 520 Ca 0.06 0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2qms n PRO 520 Cb 0.50 -1.86 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 3.45 -0.59 0.00 1.43 -1.26 -4.83 118.68 113.90 2qms s LEU 522 Ca 0.13 1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 2qms s LEU 522 Cb -0.05 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.68 2qms s LEU 522 CO 0.08 -0.94 1.36 -0.76 0.23 0.00 0.00 176.35 176.32 2qms s LEU 523 N -4.59 3.38 -0.15 1.79 1.43 -0.64 -4.48 118.68 115.42 2qms s LEU 523 Ca 0.60 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 2qms s LEU 523 Cb -0.13 -3.01 -0.13 0.00 0.03 0.00 0.00 46.19 42.96 2qms s LEU 523 CO 0.40 -1.69 -0.06 0.54 0.23 0.00 0.00 176.35 175.77 2qms n ARG 524 N 8.71 1.06 -4.01 1.70 1.74 -0.33 -4.32 116.66 121.22 2qms n ARG 524 Ca 0.11 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 57.01 2qms n ARG 524 Cb 0.49 -1.32 -0.17 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.32 0.90 0.30 -1.55 3.76 -0.48 -4.99 115.29 110.92 2qms s HIS 525 Ca -0.15 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 2qms s HIS 525 Cb 0.05 -0.84 -0.10 0.00 1.11 0.00 0.00 32.58 32.79 2qms s HIS 525 CO 0.44 -0.30 1.40 0.00 -0.85 0.00 0.00 174.74 175.43 2qms s THR 528 N 1.26 0.29 -0.42 0.00 2.01 -1.26 -4.70 115.64 112.82 2qms s THR 528 Ca 0.06 -1.07 0.05 0.00 0.31 0.00 0.00 61.69 61.03 2qms s THR 528 Cb -0.14 -0.52 0.48 0.00 0.01 0.00 0.00 72.50 72.33 2qms s THR 528 CO 0.05 -0.51 1.58 -1.14 -0.69 0.00 0.00 174.62 173.91 2qms n ARG 529 N 1.38 2.73 -3.88 4.92 3.00 -1.26 -4.98 116.66 118.57 2qms n ARG 529 Ca -0.22 -3.55 -0.20 0.00 -0.00 0.00 0.00 57.85 53.88 2qms n ARG 529 Cb 0.56 -2.14 -0.17 0.00 0.00 0.00 0.00 32.46 30.70 2qms n ARG 529 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qms s VAL 530 N -4.20 0.25 -0.15 5.15 1.01 -1.26 -5.12 120.40 116.09 2qms s VAL 530 Ca 0.54 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 2qms s VAL 530 Cb 0.44 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 36.43 2qms s VAL 530 CO 0.02 0.19 0.85 0.00 0.00 0.00 0.00 175.10 176.16 2qms s ALA 531 N 1.43 3.48 -2.84 5.51 0.00 -1.26 -5.22 121.76 122.86 2qms s ALA 531 Ca -0.04 0.11 0.23 0.00 0.00 0.00 0.00 51.96 52.26 2qms s ALA 531 Cb -0.13 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.92 2qms s ALA 531 CO -0.03 -0.59 1.22 1.28 0.00 0.00 0.00 175.76 177.64