#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 -1.11 -1.12 -3.43 5.85 -2.04 -0.68 115.31 112.78 2qms h LEU 421 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qms h LEU 421 Cb 0.00 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2qms h LEU 421 CO 0.00 -0.52 0.42 0.77 -0.34 0.00 0.00 178.44 178.77 2qms h SER 422 N -0.76 0.92 -0.57 1.25 4.64 -2.04 -1.22 113.55 115.78 2qms h SER 422 Ca -0.02 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2qms h SER 422 Cb 0.71 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2qms h SER 422 CO -0.12 0.73 0.35 0.00 -0.87 0.00 0.00 176.83 176.92 2qms h ALA 423 N 1.42 0.73 -0.38 5.18 0.00 -1.93 -2.44 119.26 121.84 2qms h ALA 423 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qms h ALA 423 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qms h ALA 423 CO -0.05 0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.48 2qms h ALA 424 N 1.25 0.49 -0.66 0.00 0.00 0.02 -3.17 119.26 117.17 2qms h ALA 424 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qms h ALA 424 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qms h ALA 424 CO -0.09 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.62 2qms n ILE 425 N -4.74 1.88 -2.18 0.00 -5.35 -0.70 -4.89 119.36 103.38 2qms n ILE 425 Ca -0.00 -1.20 -0.42 0.00 -0.27 0.00 0.00 62.75 60.85 2qms n ILE 425 Cb 0.09 0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 38.08 2qms n ILE 425 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2qms s HIS 426 N -1.88 3.25 0.00 4.28 2.46 -0.93 -1.96 115.29 120.52 2qms s HIS 426 Ca 0.52 0.97 0.00 0.00 0.47 0.00 0.00 55.06 57.02 2qms s HIS 426 Cb 0.34 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 29.12 2qms s HIS 426 CO 0.25 -2.34 0.00 0.54 -2.47 0.00 0.00 174.74 170.72 2qms n ARG 427 N 3.94 0.00 0.11 2.88 1.74 -1.26 -4.96 116.66 119.11 2qms n ARG 427 Ca 0.11 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 2qms n ARG 427 Cb 0.42 -2.46 0.01 0.00 -1.02 0.00 0.00 32.46 29.42 2qms n ARG 427 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qms h THR 428 N 0.00 0.23 -6.08 0.55 1.03 -1.76 -3.49 112.91 103.40 2qms h THR 428 Ca 0.00 -1.40 -0.39 0.00 -0.01 0.00 0.00 66.41 64.62 2qms h THR 428 Cb 0.00 1.83 0.10 0.00 -1.07 0.00 0.00 68.15 69.01 2qms h THR 428 CO 0.00 0.13 -0.89 0.00 -0.01 0.00 0.00 175.52 174.75 2qms n GLN 429 N -2.87 -1.39 0.00 0.00 1.13 -1.26 -4.89 117.38 108.09 2qms n GLN 429 Ca -0.02 0.58 0.12 0.00 -1.94 0.00 0.00 57.00 55.75 2qms n GLN 429 Cb 0.64 -4.41 0.74 0.00 0.11 0.00 0.00 30.24 27.32 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 -3.88 0.00 0.14 1.08 4.77 -1.26 -3.17 117.00 114.68 2qms n LEU 430 Ca -0.09 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2qms n LEU 430 Cb 0.59 -0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.14 2qms n LEU 430 CO 0.65 -0.00 0.88 4.11 -1.33 0.00 0.00 177.39 181.70 2qms h TRP 431 N 0.00 0.00 -3.32 -1.77 5.08 -1.91 -1.46 115.95 112.58 2qms h TRP 431 Ca 0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 2qms h TRP 431 Cb 0.00 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.10 2qms h TRP 431 CO 0.00 0.00 -0.04 0.12 -1.28 0.00 0.00 178.44 177.24 2qms s PHE 432 N -3.26 3.60 0.00 0.12 5.36 -1.19 -1.37 117.98 121.24 2qms s PHE 432 Ca 0.07 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 2qms s PHE 432 Cb 0.10 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2qms s PHE 432 CO 0.50 0.23 0.45 0.72 -1.46 0.00 0.00 175.22 175.66 2qms n HIS 433 N 3.28 0.00 -4.77 10.12 8.25 -0.13 -4.68 115.22 127.29 2qms n HIS 433 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 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 0.09 0.59 3.60 -1.41 0.00 -1.26 -4.61 105.19 102.19 2qms n GLY 434 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 3.82 0.04 1.61 3.52 -1.26 -1.08 118.95 125.61 2qms s ARG 435 Ca 0.00 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2qms s ARG 435 Cb 0.00 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 2qms s ARG 435 CO 0.00 -1.02 -0.04 0.96 -0.81 0.00 0.00 175.30 174.39 2qms s ILE 436 N 3.64 0.26 0.73 4.11 -4.36 -1.25 -4.95 121.20 119.38 2qms s ILE 436 Ca 0.40 -1.35 -0.13 0.00 -0.26 0.00 0.00 60.65 59.31 2qms s ILE 436 Cb -0.11 -0.88 0.04 0.00 1.25 0.00 0.00 42.46 42.75 2qms s ILE 436 CO 0.21 -0.70 1.12 -0.94 0.24 0.00 0.00 174.94 174.86 2qms s SER 437 N -2.14 4.56 0.23 4.36 1.04 -1.26 -4.61 113.70 115.88 2qms s SER 437 Ca -0.04 1.99 -0.07 0.00 0.48 0.00 0.00 55.95 58.31 2qms s SER 437 Cb -0.02 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.93 2qms s SER 437 CO -0.04 -2.00 1.73 -0.09 0.98 0.00 0.00 173.24 173.82 2qms h ARG 438 N -0.62 0.39 -0.98 4.02 2.43 -2.00 -0.53 114.38 117.08 2qms h ARG 438 Ca -0.45 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 2qms h ARG 438 Cb 1.25 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 2qms h ARG 438 CO 0.51 0.25 0.64 0.93 -1.51 0.00 0.00 179.97 180.80 2qms h GLU 439 N 0.40 1.21 -0.31 0.20 3.07 -2.00 -2.23 114.58 114.91 2qms h GLU 439 Ca 0.37 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.04 2qms h GLU 439 Cb 0.53 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2qms h GLU 439 CO -0.38 0.80 -0.29 1.49 -1.40 0.00 0.00 179.01 179.23 2qms h GLU 440 N 1.24 0.63 -0.16 2.33 4.57 -1.55 -0.73 114.58 120.91 2qms h GLU 440 Ca 0.39 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2qms h GLU 440 Cb 0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2qms h GLU 440 CO -0.12 0.85 0.01 0.66 -1.18 0.00 0.00 179.01 179.23 2qms h SER 441 N 0.54 0.27 -0.16 1.04 4.64 -0.59 -1.10 113.55 118.18 2qms h SER 441 Ca 0.07 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2qms h SER 441 Cb 0.77 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 2qms h SER 441 CO 0.06 0.49 -0.21 1.56 -0.87 0.00 0.00 176.83 177.86 2qms h GLN 442 N 0.04 -0.24 -0.56 4.77 4.20 -1.37 -0.41 115.11 121.54 2qms h GLN 442 Ca 0.05 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.88 2qms h GLN 442 Cb 0.34 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.07 2qms h GLN 442 CO 0.01 -0.16 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.69 2qms h ARG 443 N -0.25 -0.09 -0.60 1.46 2.43 -0.95 0.34 114.38 116.72 2qms h ARG 443 Ca 0.11 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2qms h ARG 443 Cb 0.41 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2qms h ARG 443 CO -0.31 -0.06 0.18 -0.07 -1.51 0.00 0.00 179.97 178.21 2qms h LEU 444 N -0.09 0.89 -0.53 3.80 3.38 -0.71 0.14 115.31 122.18 2qms h LEU 444 Ca 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2qms h LEU 444 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2qms h LEU 444 CO -0.62 0.86 0.12 0.40 0.09 0.00 0.00 178.44 179.29 2qms h ILE 445 N 0.86 1.25 -0.58 1.22 2.04 -0.58 -1.02 117.51 120.69 2qms h ILE 445 Ca 0.19 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2qms h ILE 445 Cb 0.30 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2qms h ILE 445 CO -0.01 0.32 0.33 1.23 0.00 0.00 0.00 178.15 180.02 2qms h GLY 446 N 0.76 0.83 1.63 5.37 0.00 0.03 -2.11 103.07 109.58 2qms h GLY 446 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2qms h GLY 446 CO 0.00 0.17 -0.02 -1.61 0.00 0.00 0.00 176.54 175.08 2qms h GLN 447 N 0.63 0.47 -0.02 4.80 4.15 -0.29 -2.27 115.11 122.58 2qms h GLN 447 Ca 0.25 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2qms h GLN 447 Cb 0.11 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2qms h GLN 447 CO -0.14 0.51 0.00 1.04 -1.93 0.00 0.00 178.83 178.31 2qms n GLN 448 N -4.29 1.64 0.00 1.69 6.02 -0.42 -4.95 117.38 117.07 2qms n GLN 448 Ca 0.01 -0.93 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 2qms n GLN 448 Cb 0.24 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.17 1.18 3.80 1.08 0.00 -0.84 -4.65 105.19 106.93 2qms n GLY 449 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.45 -4.77 0.99 4.77 -0.94 -4.95 117.00 109.65 2qms n LEU 450 Ca 0.00 -0.70 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 2qms n LEU 450 Cb 0.00 -2.54 -0.05 0.00 -2.33 0.00 0.00 43.42 38.50 2qms n LEU 450 CO 0.00 0.42 0.74 -0.69 -1.33 0.00 0.00 177.39 176.54 2qms s VAL 451 N -3.25 3.69 0.23 4.08 1.01 -1.26 -4.47 120.40 120.43 2qms s VAL 451 Ca 0.62 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.81 2qms s VAL 451 Cb -0.31 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 2qms s VAL 451 CO 0.76 0.23 1.69 -0.67 0.00 0.00 0.00 175.10 177.12 2qms n ASP 452 N 0.72 3.99 0.00 3.32 -0.08 -1.26 -1.98 116.55 121.26 2qms n ASP 452 Ca 0.01 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 2qms n ASP 452 Cb 0.47 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.35 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 3.48 0.75 3.71 0.27 0.00 0.31 -4.77 105.19 108.94 2qms n GLY 453 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 4.36 0.04 0.99 2.96 -0.84 -0.53 118.68 125.66 2qms s LEU 454 Ca 0.00 2.31 -0.07 0.00 -0.22 0.00 0.00 54.13 56.15 2qms s LEU 454 Cb 0.00 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 2qms s LEU 454 CO 0.00 -0.69 0.15 0.72 -1.32 0.00 0.00 176.35 175.20 2qms s PHE 455 N 1.48 0.13 0.07 5.38 -0.71 0.16 0.46 117.98 124.94 2qms s PHE 455 Ca 0.65 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 56.10 2qms s PHE 455 Cb -0.36 -0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 2qms s PHE 455 CO 0.30 -0.40 0.12 -0.48 -1.34 0.00 0.00 175.22 173.42 2qms s LEU 456 N -2.10 1.73 -0.10 -1.99 0.05 0.60 -0.68 118.68 116.19 2qms s LEU 456 Ca -0.05 -0.70 0.02 0.00 0.05 0.00 0.00 54.13 53.44 2qms s LEU 456 Cb -0.01 0.77 -0.02 0.00 -2.05 0.00 0.00 46.19 44.88 2qms s LEU 456 CO -0.04 -0.66 -0.14 -0.69 -0.55 0.00 0.00 176.35 174.27 2qms s VAL 457 N -3.63 2.98 0.19 1.48 1.01 -0.47 0.85 120.40 122.81 2qms s VAL 457 Ca 0.03 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2qms s VAL 457 Cb 0.04 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2qms s VAL 457 CO -0.09 0.55 -0.02 0.00 0.00 0.00 0.00 175.10 175.54 2qms s ARG 458 N -0.06 1.18 0.21 2.72 1.70 -0.20 -0.96 118.95 123.53 2qms s ARG 458 Ca -0.03 -1.57 -0.30 0.00 -0.47 0.00 0.00 55.73 53.37 2qms s ARG 458 Cb -0.14 -0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 33.70 2qms s ARG 458 CO 0.04 -0.08 1.02 -1.21 -1.08 0.00 0.00 175.30 173.99 2qms s GLU 459 N -3.86 4.72 0.40 3.89 2.02 -0.24 -0.42 118.70 125.20 2qms s GLU 459 Ca 0.24 1.60 -0.26 0.00 0.02 0.00 0.00 54.97 56.57 2qms s GLU 459 Cb 0.05 -3.28 -0.11 0.00 0.10 0.00 0.00 34.13 30.90 2qms s GLU 459 CO 0.05 0.29 1.26 0.45 0.02 0.00 0.00 175.26 177.32 2qms n SER 460 N 1.90 2.52 0.08 -0.19 2.88 -0.53 -3.90 113.62 116.38 2qms n SER 460 Ca 0.00 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.56 2qms n SER 460 Cb 0.47 -1.48 -0.11 0.00 -0.75 0.00 0.00 64.21 62.34 2qms n SER 460 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2qms h GLN 461 N 2.18 0.16 0.15 -1.46 4.20 -1.91 -3.37 115.11 115.06 2qms h GLN 461 Ca -0.47 -0.25 -0.35 0.00 0.06 0.00 0.00 58.65 57.64 2qms h GLN 461 Cb 1.29 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 2qms h GLN 461 CO 0.60 1.09 -1.78 0.00 -0.67 0.00 0.00 178.83 178.07 2qms h ARG 462 N 0.05 0.33 -4.43 1.46 3.08 -1.98 -3.43 114.38 109.46 2qms h ARG 462 Ca -0.07 -0.56 -0.73 0.00 0.07 0.00 0.00 59.98 58.69 2qms h ARG 462 Cb 1.81 0.21 -0.22 0.00 0.08 0.00 0.00 29.97 31.85 2qms h ARG 462 CO 0.16 1.23 -0.31 1.21 -1.07 0.00 0.00 179.97 181.19 2qms s ASN 463 N -7.14 6.15 0.17 7.04 3.84 -1.26 -4.92 114.94 118.82 2qms s ASN 463 Ca -0.16 -1.17 0.10 0.00 0.21 0.00 0.00 52.86 51.84 2qms s ASN 463 Cb 0.06 -2.19 0.55 0.00 -0.55 0.00 0.00 41.25 39.12 2qms s ASN 463 CO 0.83 -0.62 1.27 -2.65 -2.79 0.00 0.00 177.10 173.14 2qms n PRO 464 N 5.30 0.07 0.00 0.43 -0.02 -1.26 -2.21 135.00 137.30 2qms n PRO 464 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2qms n PRO 464 Cb 0.45 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.84 2.56 -3.78 -0.52 1.13 -1.26 -5.01 117.38 108.66 2qms n GLN 465 Ca -0.01 -0.31 -0.25 0.00 -1.94 0.00 0.00 57.00 54.50 2qms n GLN 465 Cb 0.09 -0.80 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 2qms n GLN 465 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qms s GLY 466 N -0.54 1.56 0.39 1.08 0.00 -0.94 -4.36 107.32 104.50 2qms s GLY 466 Ca 0.01 -0.99 0.08 0.00 0.00 0.00 0.00 44.72 43.81 2qms s GLY 466 CO 0.02 -0.97 0.06 -1.36 0.00 0.00 0.00 173.10 170.85 2qms s PHE 467 N -1.93 2.55 -0.02 1.90 0.40 0.28 -1.46 117.98 119.70 2qms s PHE 467 Ca 0.37 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2qms s PHE 467 Cb -0.10 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.70 2qms s PHE 467 CO 0.30 0.37 -0.01 0.08 0.70 0.00 0.00 175.22 176.66 2qms s VAL 468 N -2.62 0.24 -0.35 -0.44 1.01 0.43 -0.31 120.40 118.36 2qms s VAL 468 Ca 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2qms s VAL 468 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 2qms s VAL 468 CO 0.20 0.13 0.43 -0.22 0.00 0.00 0.00 175.10 175.64 2qms s LEU 469 N 0.71 4.41 -0.25 3.92 2.96 0.13 -1.04 118.68 129.51 2qms s LEU 469 Ca -0.07 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 2qms s LEU 469 Cb -0.10 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2qms s LEU 469 CO -0.01 -0.40 0.09 -0.44 -1.32 0.00 0.00 176.35 174.26 2qms s SER 470 N 1.74 5.26 -0.00 3.68 0.01 0.25 -0.69 113.70 123.95 2qms s SER 470 Ca 0.15 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2qms s SER 470 Cb -0.16 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2qms s SER 470 CO 0.12 -0.04 -0.11 -0.22 0.41 0.00 0.00 173.24 173.41 2qms s LEU 471 N 1.63 2.03 -0.14 2.44 2.96 0.20 -0.29 118.68 127.50 2qms s LEU 471 Ca 0.06 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 2qms s LEU 471 Cb -0.15 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2qms s LEU 471 CO 0.05 0.12 0.05 0.00 -1.32 0.00 0.00 176.35 175.25 2qms s HIS 473 N -0.21 -1.07 -1.27 0.00 5.04 -0.80 0.11 115.29 117.10 2qms s HIS 473 Ca 0.07 1.94 -0.02 0.00 -1.54 0.00 0.00 55.06 55.52 2qms s HIS 473 Cb -0.12 0.57 -0.01 0.00 0.04 0.00 0.00 32.58 33.06 2qms s HIS 473 CO 0.01 -0.56 0.73 1.28 -2.34 0.00 0.00 174.74 173.86 2qms n LEU 474 N 5.25 -3.29 -0.75 8.88 4.77 -1.26 -2.61 117.00 127.99 2qms n LEU 474 Ca -0.12 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 54.94 2qms n LEU 474 Cb 0.50 -2.70 -0.04 0.00 -2.33 0.00 0.00 43.42 38.86 2qms n LEU 474 CO -0.02 0.39 -0.09 0.00 -1.33 0.00 0.00 177.39 176.34 2qms n GLN 475 N -4.19 -1.68 -4.90 3.23 3.00 -1.26 -4.95 117.38 106.63 2qms n GLN 475 Ca -0.27 0.84 -0.27 0.00 -0.01 0.00 0.00 57.00 57.29 2qms n GLN 475 Cb 0.67 -5.24 -0.16 0.00 0.00 0.00 0.00 30.24 25.51 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 -2.79 1.83 -0.08 -1.09 1.02 -1.07 -5.08 119.74 112.46 2qms s LYS 476 Ca 0.00 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 2qms s LYS 476 Cb 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2qms s LYS 476 CO 0.00 0.29 0.70 0.08 -0.92 0.00 0.00 175.35 175.50 2qms s VAL 477 N -0.06 5.04 0.16 3.17 1.01 -1.26 -1.90 120.40 126.55 2qms s VAL 477 Ca -0.02 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.48 2qms s VAL 477 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2qms s VAL 477 CO 0.02 0.23 -0.07 -0.54 0.00 0.00 0.00 175.10 174.74 2qms s LYS 478 N 0.96 2.19 -0.11 2.72 -0.14 0.43 -4.95 119.74 120.84 2qms s LYS 478 Ca 0.37 -1.15 0.03 0.00 -1.36 0.00 0.00 55.97 53.86 2qms s LYS 478 Cb -0.17 -2.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.72 2qms s LYS 478 CO 0.17 0.46 -0.21 -1.01 -0.76 0.00 0.00 175.35 174.00 2qms s HIS 479 N -1.58 2.41 -0.15 3.18 3.76 -1.26 -0.63 115.29 121.01 2qms s HIS 479 Ca 0.25 -1.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.09 2qms s HIS 479 Cb -0.10 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.96 2qms s HIS 479 CO 0.16 -0.49 -0.21 0.71 -0.85 0.00 0.00 174.74 174.07 2qms s TYR 480 N 0.64 2.71 0.11 1.40 1.51 0.14 -4.94 117.35 118.92 2qms s TYR 480 Ca -0.12 -1.40 -0.30 0.00 -1.01 0.00 0.00 57.07 54.24 2qms s TYR 480 Cb -0.16 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 2qms s TYR 480 CO 0.03 -0.65 1.21 -0.51 -1.11 0.00 0.00 175.55 174.51 2qms s LEU 481 N 0.94 4.40 -0.23 -1.29 1.43 -1.26 0.19 118.68 122.87 2qms s LEU 481 Ca -0.04 2.11 -0.04 0.00 -1.03 0.00 0.00 54.13 55.13 2qms s LEU 481 Cb -0.15 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 2qms s LEU 481 CO -0.05 -0.44 -0.02 -0.63 0.23 0.00 0.00 176.35 175.44 2qms s ILE 482 N 0.65 3.53 -0.04 -0.59 1.01 0.58 -4.19 121.20 122.15 2qms s ILE 482 Ca 0.57 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2qms s ILE 482 Cb -0.31 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2qms s ILE 482 CO 0.32 0.41 -0.22 -0.76 0.00 0.00 0.00 174.94 174.69 2qms s LEU 483 N 1.50 2.31 0.18 2.97 1.43 -0.05 -0.56 118.68 126.46 2qms s LEU 483 Ca 0.06 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2qms s LEU 483 Cb -0.14 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 2qms s LEU 483 CO -0.02 0.32 1.11 -2.16 0.23 0.00 0.00 176.35 175.82 2qms s PRO 484 N -0.59 4.59 -0.05 1.29 0.04 -1.26 -1.79 135.00 137.24 2qms s PRO 484 Ca 0.09 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.91 2qms s PRO 484 Cb -0.11 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 2qms s PRO 484 CO 0.00 0.07 -0.20 -1.12 0.04 0.00 0.00 177.00 175.80 2qms s SER 485 N -0.13 2.42 -0.24 6.66 0.01 0.34 -5.00 113.70 117.76 2qms s SER 485 Ca 0.49 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 2qms s SER 485 Cb -0.30 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.30 2qms s SER 485 CO 0.35 0.19 -0.03 -0.70 0.41 0.00 0.00 173.24 173.46 2qms s GLU 486 N -0.05 3.10 -0.25 12.44 2.12 -1.26 -1.52 118.70 133.27 2qms s GLU 486 Ca -0.03 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.49 2qms s GLU 486 Cb -0.12 -3.06 0.07 0.00 0.26 0.00 0.00 34.13 31.29 2qms s GLU 486 CO 0.02 -0.32 -0.00 -2.00 -0.54 0.00 0.00 175.26 172.42 2qms s GLU 487 N 1.42 1.29 -1.25 4.30 2.12 0.50 -4.85 118.70 122.23 2qms s GLU 487 Ca 0.03 -0.99 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 2qms s GLU 487 Cb -0.16 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 2qms s GLU 487 CO -0.03 -0.70 0.80 0.39 -0.54 0.00 0.00 175.26 175.17 2qms n GLU 488 N 4.72 -4.98 -0.50 4.30 1.02 -1.26 -1.28 120.64 122.67 2qms n GLU 488 Ca -0.08 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2qms n GLU 488 Cb 0.44 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 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 -1.44 1.50 3.37 0.62 0.00 -1.26 -5.04 105.19 102.95 2qms n GLY 489 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.18 3.17 -0.17 1.61 1.81 -0.40 -5.10 118.95 119.69 2qms s ARG 490 Ca 0.00 -0.71 -0.07 0.00 -1.72 0.00 0.00 55.73 53.23 2qms s ARG 490 Cb 0.00 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2qms s ARG 490 CO 0.00 0.29 0.06 -1.17 -0.68 0.00 0.00 175.30 173.80 2qms s LEU 491 N 0.14 3.83 0.18 2.53 2.96 -1.26 -0.37 118.68 126.69 2qms s LEU 491 Ca -0.08 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2qms s LEU 491 Cb -0.15 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2qms s LEU 491 CO 0.05 0.22 0.06 -0.72 -1.32 0.00 0.00 176.35 174.63 2qms s TYR 492 N 0.11 1.17 -0.01 5.38 1.13 -0.58 -4.79 117.35 119.76 2qms s TYR 492 Ca 0.05 -1.17 0.08 0.00 -1.41 0.00 0.00 57.07 54.62 2qms s TYR 492 Cb -0.12 -0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 40.06 2qms s TYR 492 CO 0.01 -0.39 -0.26 -0.06 -2.51 0.00 0.00 175.55 172.33 2qms s PHE 493 N -3.87 2.33 -0.02 -3.49 0.40 0.69 -0.50 117.98 113.52 2qms s PHE 493 Ca 0.29 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.15 2qms s PHE 493 Cb 0.07 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2qms s PHE 493 CO 0.06 -0.00 0.10 0.45 0.70 0.00 0.00 175.22 176.53 2qms s SER 494 N -0.74 -0.03 -0.00 1.36 0.15 -0.74 -1.20 113.70 112.50 2qms s SER 494 Ca 0.10 0.00 0.17 0.00 0.70 0.00 0.00 55.95 56.93 2qms s SER 494 Cb -0.10 0.20 -0.20 0.00 -1.71 0.00 0.00 66.02 64.21 2qms s SER 494 CO -0.00 -0.17 0.72 0.23 1.20 0.00 0.00 173.24 175.22 2qms n MET 495 N 2.39 1.16 -1.59 5.44 2.81 -1.26 -0.87 117.12 125.20 2qms n MET 495 Ca -0.17 -0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.69 2qms n MET 495 Cb 0.58 -1.33 0.08 0.00 -0.71 0.00 0.00 33.22 31.84 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 -1.47 2.12 -2.06 7.83 5.75 -1.26 -4.82 116.55 122.64 2qms n ASP 496 Ca 0.03 -2.94 -0.14 0.00 -0.01 0.00 0.00 54.79 51.72 2qms n ASP 496 Cb 0.29 -0.41 0.03 0.00 -1.03 0.00 0.00 41.12 39.99 2qms n ASP 496 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qms n ASP 497 N -0.46 -4.50 0.00 -1.12 2.03 -1.26 -2.95 116.55 108.30 2qms n ASP 497 Ca 0.18 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2qms n ASP 497 Cb 0.90 -3.32 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 2qms n ASP 497 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qms n GLY 498 N -1.27 1.22 0.29 0.27 0.00 -1.26 -4.90 105.19 99.53 2qms n GLY 498 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 3.32 0.60 -4.05 1.61 1.08 -1.97 -3.40 115.11 112.30 2qms h GLN 499 Ca 0.00 -0.10 -0.51 0.00 -1.45 0.00 0.00 58.65 56.59 2qms h GLN 499 Cb 0.00 -0.10 -0.38 0.00 -0.05 0.00 0.00 27.48 26.95 2qms h GLN 499 CO 0.00 0.55 -0.79 0.99 -0.95 0.00 0.00 178.83 178.63 2qms s THR 500 N -5.16 0.86 -0.04 -0.54 2.01 -1.26 -5.11 115.64 106.40 2qms s THR 500 Ca -0.08 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2qms s THR 500 Cb 0.16 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2qms s THR 500 CO 0.76 0.26 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.61 2qms s ARG 501 N 1.77 2.32 0.05 4.92 0.52 -1.26 -4.44 118.95 122.82 2qms s ARG 501 Ca 0.04 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.44 2qms s ARG 501 Cb -0.13 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 2qms s ARG 501 CO -0.07 0.55 -0.12 -0.06 0.02 0.00 0.00 175.30 175.62 2qms s PHE 502 N -0.57 1.01 0.15 -0.53 0.08 -0.34 -4.95 117.98 112.83 2qms s PHE 502 Ca 0.08 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 2qms s PHE 502 Cb -0.11 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 2qms s PHE 502 CO 0.00 0.01 1.36 1.79 -0.10 0.00 0.00 175.22 178.28 2qms h THR 503 N 4.47 1.44 -3.76 0.64 1.35 -1.86 0.20 112.91 115.39 2qms h THR 503 Ca -0.37 -2.49 -0.20 0.00 -0.55 0.00 0.00 66.41 62.79 2qms h THR 503 Cb 1.19 2.40 -0.05 0.00 -1.73 0.00 0.00 68.15 69.96 2qms h THR 503 CO 0.42 0.73 -0.03 1.51 -0.25 0.00 0.00 175.52 177.91 2qms s ASP 504 N -6.99 0.67 0.21 5.36 1.47 -1.26 -4.67 116.67 111.46 2qms s ASP 504 Ca -0.04 -1.40 -0.09 0.00 1.18 0.00 0.00 52.55 52.20 2qms s ASP 504 Cb 0.10 0.74 0.15 0.00 -0.34 0.00 0.00 42.92 43.56 2qms s ASP 504 CO 0.84 -1.45 1.78 -0.07 0.68 0.00 0.00 175.17 176.96 2qms h LEU 505 N 2.06 1.03 -0.66 2.11 3.38 -1.98 -2.95 115.31 118.29 2qms h LEU 505 Ca -0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2qms h LEU 505 Cb 1.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2qms h LEU 505 CO 0.39 0.90 0.31 0.25 0.09 0.00 0.00 178.44 180.38 2qms h LEU 506 N 1.09 0.87 -0.37 1.67 5.85 -1.99 -0.20 115.31 122.24 2qms h LEU 506 Ca 0.26 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2qms h LEU 506 Cb 0.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2qms h LEU 506 CO -0.03 0.77 0.15 -0.61 -0.34 0.00 0.00 178.44 178.38 2qms h GLN 507 N 0.91 0.30 -0.23 1.25 4.15 -1.96 0.88 115.11 120.42 2qms h GLN 507 Ca 0.22 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.66 2qms h GLN 507 Cb 0.14 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2qms h GLN 507 CO -0.03 0.20 0.00 1.25 -1.93 0.00 0.00 178.83 178.33 2qms h LEU 508 N 0.31 -0.08 -0.23 -2.39 6.46 -1.31 -1.55 115.31 116.52 2qms h LEU 508 Ca 0.17 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 2qms h LEU 508 Cb 0.12 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2qms h LEU 508 CO -0.15 -0.01 0.06 0.58 -0.62 0.00 0.00 178.44 178.30 2qms h VAL 509 N 0.08 1.20 -0.88 1.05 2.07 -0.81 -1.75 116.25 117.22 2qms h VAL 509 Ca 0.11 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2qms h VAL 509 Cb 0.13 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2qms h VAL 509 CO -0.18 0.21 0.57 -0.33 0.02 0.00 0.00 177.57 177.86 2qms h GLU 510 N 0.20 1.07 -0.23 1.57 5.08 -0.80 -1.39 114.58 120.08 2qms h GLU 510 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qms h GLU 510 Cb 0.26 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2qms h GLU 510 CO -0.00 0.71 0.13 0.35 -1.00 0.00 0.00 179.01 179.19 2qms h PHE 511 N 1.10 0.32 0.00 4.33 3.57 -1.25 -3.19 116.94 121.81 2qms h PHE 511 Ca 0.35 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2qms h PHE 511 Cb 0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2qms h PHE 511 CO -0.02 0.27 0.00 0.72 -2.23 0.00 0.00 178.31 177.05 2qms n HIS 512 N -4.87 0.00 0.23 0.41 8.25 -0.66 -1.19 115.22 117.39 2qms n HIS 512 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 2qms n HIS 512 Cb 0.07 -0.19 0.38 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.26 -0.47 115.11 117.16 2qms h GLN 513 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qms h GLN 513 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2qms h GLN 513 CO 0.00 0.07 -1.13 1.28 -0.67 0.00 0.00 178.83 178.38 2qms n LEU 514 N -3.14 0.00 -3.99 1.46 4.77 -0.96 -4.67 117.00 110.46 2qms n LEU 514 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 2qms n LEU 514 Cb 0.46 0.02 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 2qms n LEU 514 CO 0.32 0.02 -0.46 0.20 -1.33 0.00 0.00 177.39 176.14 2qms s ASN 515 N -2.65 1.66 0.07 -1.43 0.01 -0.33 -5.06 114.94 107.20 2qms s ASN 515 Ca -0.01 -0.27 -0.20 0.00 -0.71 0.00 0.00 52.86 51.67 2qms s ASN 515 Cb 0.01 -0.76 -0.11 0.00 0.41 0.00 0.00 41.25 40.80 2qms s ASN 515 CO 0.10 0.01 1.51 0.03 -1.51 0.00 0.00 177.10 177.24 2qms h ARG 516 N 7.08 0.30 0.00 -0.60 3.08 -1.85 -3.35 114.38 119.04 2qms h ARG 516 Ca -0.32 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2qms h ARG 516 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2qms h ARG 516 CO 0.47 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 180.28 2qms n GLY 517 N -0.35 3.30 0.00 0.04 0.00 -1.26 -0.91 105.19 106.02 2qms n GLY 517 Ca -0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.06 -3.05 -0.61 -5.35 -1.26 -4.86 119.36 104.29 2qms n ILE 518 Ca 0.00 0.01 -0.37 0.00 -0.27 0.00 0.00 62.75 62.12 2qms n ILE 518 Cb 0.00 -0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 37.22 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 -2.13 4.43 0.27 7.28 1.43 -0.09 -4.96 118.68 124.92 2qms s LEU 519 Ca 0.34 1.51 0.23 0.00 -1.03 0.00 0.00 54.13 55.18 2qms s LEU 519 Cb 0.17 -3.50 1.02 0.00 0.03 0.00 0.00 46.19 43.91 2qms s LEU 519 CO 0.31 0.09 1.69 -0.81 0.23 0.00 0.00 176.35 177.86 2qms n PRO 520 N 1.03 0.18 -3.83 1.29 -0.04 -1.26 -4.83 135.00 127.54 2qms n PRO 520 Ca -0.03 0.47 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 2qms n PRO 520 Cb 0.50 -1.89 0.02 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 -3.09 3.54 -0.45 0.00 1.43 -1.26 -4.76 118.68 114.09 2qms s LEU 522 Ca 0.17 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 2qms s LEU 522 Cb -0.05 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.14 2qms s LEU 522 CO 0.12 -0.64 1.32 -0.76 0.23 0.00 0.00 176.35 176.62 2qms s LEU 523 N -4.78 3.58 -0.15 1.79 1.43 -0.18 -4.48 118.68 115.88 2qms s LEU 523 Ca 0.50 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2qms s LEU 523 Cb -0.10 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 2qms s LEU 523 CO 0.46 -1.40 -0.15 0.54 0.23 0.00 0.00 176.35 176.03 2qms n ARG 524 N 8.06 0.37 -3.88 1.70 1.74 0.31 -4.31 116.66 120.66 2qms n ARG 524 Ca 0.15 0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 57.06 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 -2.30 1.40 0.15 -1.55 3.76 -0.85 -4.98 115.29 110.91 2qms s HIS 525 Ca -0.21 -0.74 -0.31 0.00 -0.15 0.00 0.00 55.06 53.65 2qms s HIS 525 Cb 0.06 -1.18 -0.10 0.00 1.11 0.00 0.00 32.58 32.47 2qms s HIS 525 CO 0.34 -0.51 1.62 0.00 -0.85 0.00 0.00 174.74 175.33 2qms s THR 528 N 3.16 4.23 -1.21 0.00 -4.23 -1.26 -4.41 115.64 111.91 2qms s THR 528 Ca 0.23 1.98 0.21 0.00 -1.18 0.00 0.00 61.69 62.93 2qms s THR 528 Cb -0.15 -4.28 0.27 0.00 1.34 0.00 0.00 72.50 69.68 2qms s THR 528 CO 0.17 0.47 1.68 -2.11 -0.54 0.00 0.00 174.62 174.29 2qms n ARG 529 N 1.75 0.15 -4.26 3.99 1.85 -0.55 -4.78 116.66 114.81 2qms n ARG 529 Ca -0.02 0.11 -0.18 0.00 -1.00 0.00 0.00 57.85 56.76 2qms n ARG 529 Cb 0.48 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.28 2qms n ARG 529 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2qms s VAL 530 N -2.79 1.41 0.42 8.89 -7.23 -1.26 -5.11 120.40 114.72 2qms s VAL 530 Ca 0.15 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 2qms s VAL 530 Cb 0.14 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 2qms s VAL 530 CO 0.35 -0.45 1.02 0.00 -0.31 0.00 0.00 175.10 175.72 2qms s ALA 531 N -2.30 3.03 0.00 1.32 0.00 -1.26 -5.16 121.76 117.39 2qms s ALA 531 Ca 0.11 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2qms s ALA 531 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2qms s ALA 531 CO 0.04 -0.14 0.44 1.28 0.00 0.00 0.00 175.76 177.37