#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmj s ASP 423 N 0.00 6.67 0.32 6.55 1.11 -1.26 -4.79 116.67 125.27 2wmj s ASP 423 Ca 0.00 2.33 -0.29 0.00 0.18 0.00 0.00 52.55 54.77 2wmj s ASP 423 Cb 0.00 -2.55 -0.11 0.00 1.07 0.00 0.00 42.92 41.33 2wmj s ASP 423 CO 0.00 -0.88 1.53 -0.54 1.18 0.00 0.00 175.17 176.46 2wmj s LYS 424 N 3.15 4.14 0.46 8.23 -0.14 -1.26 -4.40 119.74 129.91 2wmj s LYS 424 Ca 0.72 2.54 0.25 0.00 -1.36 0.00 0.00 55.97 58.12 2wmj s LYS 424 Cb -0.36 -3.01 0.61 0.00 -1.68 0.00 0.00 37.83 33.39 2wmj s LYS 424 CO 0.30 -0.56 1.70 0.00 -0.76 0.00 0.00 175.35 176.04 2wmj h ARG 425 N 4.09 0.00 -3.26 1.68 3.08 -1.40 -3.46 114.38 115.11 2wmj h ARG 425 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 2wmj h ARG 425 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.16 2wmj h ARG 425 CO 0.73 0.05 0.03 -0.98 -1.07 0.00 0.00 179.97 178.73 2wmj s ARG 426 N -3.33 1.24 -0.07 0.04 1.70 -1.26 -5.05 118.95 112.22 2wmj s ARG 426 Ca 0.05 -0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 2wmj s ARG 426 Cb 0.06 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 2wmj s ARG 426 CO 0.64 -0.52 0.27 -2.00 -1.08 0.00 0.00 175.30 172.61 2wmj s GLU 427 N -3.82 3.71 -0.21 3.89 2.56 -1.26 -5.07 118.70 118.49 2wmj s GLU 427 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 54.97 55.13 2wmj s GLU 427 Cb 0.00 -3.22 0.06 0.00 2.00 0.00 0.00 34.13 32.97 2wmj s GLU 427 CO -0.09 0.71 0.01 0.42 -0.56 0.00 0.00 175.26 175.75 2wmj s ILE 428 N -0.96 0.82 0.10 -3.70 1.01 -1.26 -4.85 121.20 112.36 2wmj s ILE 428 Ca 0.19 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2wmj s ILE 428 Cb -0.14 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.09 2wmj s ILE 428 CO 0.08 -0.19 0.31 -0.46 0.00 0.00 0.00 174.94 174.68 2wmj n ASN 429 N 4.94 -0.71 -0.08 3.58 0.23 -0.67 -4.84 115.26 117.71 2wmj n ASN 429 Ca -0.10 -1.44 0.08 0.00 -0.53 0.00 0.00 54.58 52.59 2wmj n ASN 429 Cb 0.46 1.16 0.44 0.00 -2.08 0.00 0.00 39.78 39.76 2wmj n ASN 429 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wmj h ASN 430 N 0.68 0.48 1.45 0.53 -1.07 -1.90 -0.86 115.58 114.89 2wmj h ASN 430 Ca -0.11 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.17 2wmj h ASN 430 Cb 0.42 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 2wmj h ASN 430 CO 0.14 0.32 -0.57 -0.33 0.07 0.00 0.00 177.43 177.06 2wmj h GLU 431 N 0.55 0.00 -2.13 4.14 5.08 -1.91 -3.34 114.58 116.97 2wmj h GLU 431 Ca 0.24 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.02 2wmj h GLU 431 Cb 0.26 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.10 2wmj h GLU 431 CO -0.07 0.41 -0.79 0.72 -1.00 0.00 0.00 179.01 178.27 2wmj n HIS 432 N -3.16 2.19 -0.99 4.33 8.25 -0.40 -4.99 115.22 120.46 2wmj n HIS 432 Ca 0.01 -3.93 -0.29 0.00 -0.26 0.00 0.00 57.72 53.24 2wmj n HIS 432 Cb 0.72 -0.48 0.22 0.00 1.12 0.00 0.00 29.99 31.57 2wmj n HIS 432 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wmj s PRO 433 N -2.12 -0.79 -0.06 -0.41 0.04 -0.79 -1.66 135.00 129.21 2wmj s PRO 433 Ca 0.39 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 2wmj s PRO 433 Cb 0.17 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 33.12 2wmj s PRO 433 CO -0.06 -3.49 -0.02 -1.17 0.04 0.00 0.00 177.00 172.30 2wmj s LEU 434 N -6.89 0.95 -0.34 -3.56 2.96 0.45 -4.69 118.68 107.55 2wmj s LEU 434 Ca 0.68 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2wmj s LEU 434 Cb -0.15 -0.46 0.02 0.00 0.50 0.00 0.00 46.19 46.10 2wmj s LEU 434 CO 0.58 -0.13 0.16 -0.22 -1.32 0.00 0.00 176.35 175.42 2wmj s LEU 435 N 1.49 4.40 0.17 -0.68 2.96 0.00 -0.72 118.68 126.29 2wmj s LEU 435 Ca -0.02 -0.86 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 2wmj s LEU 435 Cb -0.13 -1.98 -0.07 0.00 0.50 0.00 0.00 46.19 44.51 2wmj s LEU 435 CO -0.03 -0.30 1.04 -0.04 -1.32 0.00 0.00 176.35 175.70 2wmj s MET 436 N 1.54 4.65 -0.44 1.98 -1.94 -0.26 -2.27 119.30 122.56 2wmj s MET 436 Ca 0.02 1.62 0.02 0.00 -1.71 0.00 0.00 55.69 55.65 2wmj s MET 436 Cb -0.18 -3.30 0.12 0.00 2.01 0.00 0.00 34.83 33.47 2wmj s MET 436 CO 0.05 0.16 0.18 1.41 -0.01 0.00 0.00 175.02 176.82 2wmj s MET 437 N -0.37 1.83 0.36 2.03 1.75 -0.16 -4.68 119.30 120.06 2wmj s MET 437 Ca 0.48 -2.20 -0.26 0.00 -1.25 0.00 0.00 55.69 52.45 2wmj s MET 437 Cb -0.27 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 33.96 2wmj s MET 437 CO 0.33 -1.04 1.13 -1.25 -0.65 0.00 0.00 175.02 173.54 2wmj s PRO 438 N 0.41 4.27 -0.13 4.11 0.04 -1.26 -0.47 135.00 141.98 2wmj s PRO 438 Ca 0.13 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2wmj s PRO 438 Cb -0.22 -2.82 0.05 0.00 0.04 0.00 0.00 34.50 31.55 2wmj s PRO 438 CO -0.04 -0.12 0.07 -0.51 0.04 0.00 0.00 177.00 176.44 2wmj s LEU 439 N -2.18 0.43 -0.26 -3.56 1.43 -0.11 -4.88 118.68 109.55 2wmj s LEU 439 Ca 0.53 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 2wmj s LEU 439 Cb -0.30 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 2wmj s LEU 439 CO 0.38 -0.30 0.21 -0.31 0.23 0.00 0.00 176.35 176.56 2wmj s TYR 440 N 2.09 3.27 0.28 0.29 1.51 -1.26 -1.31 117.35 122.22 2wmj s TYR 440 Ca 0.03 0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 2wmj s TYR 440 Cb -0.15 -2.37 -0.11 0.00 -0.11 0.00 0.00 41.96 39.23 2wmj s TYR 440 CO -0.07 -0.07 1.48 0.00 -1.11 0.00 0.00 175.55 175.78 2wmj s ALA 441 N 1.50 3.65 -0.52 3.71 0.00 -0.22 -0.74 121.76 129.13 2wmj s ALA 441 Ca 0.09 1.42 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 2wmj s ALA 441 Cb -0.15 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.44 2wmj s ALA 441 CO 0.08 -0.84 0.73 1.21 0.00 0.00 0.00 175.76 176.94 2wmj s ASN 442 N 0.32 6.25 0.16 0.00 3.84 -0.41 -3.73 114.94 121.38 2wmj s ASN 442 Ca 0.59 -0.76 -0.10 0.00 0.21 0.00 0.00 52.86 52.80 2wmj s ASN 442 Cb -0.44 -2.34 0.02 0.00 -0.55 0.00 0.00 41.25 37.95 2wmj s ASN 442 CO 0.47 -1.01 1.56 1.23 -2.79 0.00 0.00 177.10 176.56 2wmj h GLY 443 N 10.11 1.09 0.35 1.21 0.00 -1.89 -1.47 103.07 112.47 2wmj h GLY 443 Ca -0.27 -0.95 0.07 0.00 0.00 0.00 0.00 47.33 46.18 2wmj h GLY 443 CO 1.01 0.86 -0.04 0.83 0.00 0.00 0.00 176.54 179.20 2wmj h GLU 444 N 0.87 0.06 -0.24 4.80 5.08 -1.93 -1.65 114.58 121.56 2wmj h GLU 444 Ca 0.12 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2wmj h GLU 444 Cb 0.77 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2wmj h GLU 444 CO 0.06 0.04 -0.46 0.93 -1.00 0.00 0.00 179.01 178.58 2wmj h GLU 445 N 0.06 0.63 -0.52 2.33 5.08 -1.81 -2.83 114.58 117.51 2wmj h GLU 445 Ca 0.18 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2wmj h GLU 445 Cb 0.26 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 2wmj h GLU 445 CO -0.33 0.96 0.13 0.35 -1.00 0.00 0.00 179.01 179.12 2wmj h PHE 446 N 0.51 0.22 -0.35 4.33 3.57 -0.76 -0.76 116.94 123.70 2wmj h PHE 446 Ca 0.03 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2wmj h PHE 446 Cb 1.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2wmj h PHE 446 CO 0.05 0.02 0.27 -0.91 -2.23 0.00 0.00 178.31 175.50 2wmj h ASN 447 N 0.28 0.00 -0.23 0.41 2.35 -1.05 0.10 115.58 117.43 2wmj h ASN 447 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2wmj h ASN 447 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2wmj h ASN 447 CO -0.32 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 2wmj n GLN 448 N -4.27 1.76 -0.77 0.81 1.13 -0.56 -4.92 117.38 110.56 2wmj n GLN 448 Ca 0.05 -1.15 0.00 0.00 -1.94 0.00 0.00 57.00 53.96 2wmj n GLN 448 Cb 0.44 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.44 2wmj n GLN 448 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wmj n GLY 449 N 1.11 0.55 3.55 1.08 0.00 0.36 -5.05 105.19 106.78 2wmj n GLY 449 Ca 0.15 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2wmj n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmj s LYS 450 N -1.16 2.50 -0.48 1.61 -0.14 -0.40 -4.98 119.74 116.68 2wmj s LYS 450 Ca 0.00 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 53.84 2wmj s LYS 450 Cb 0.00 -2.45 0.13 0.00 -1.68 0.00 0.00 37.83 33.83 2wmj s LYS 450 CO 0.00 0.61 0.30 0.71 -0.76 0.00 0.00 175.35 176.21 2wmj s TYR 451 N -0.91 3.52 0.13 3.18 2.02 -1.26 -2.17 117.35 121.85 2wmj s TYR 451 Ca 0.15 -2.37 -0.00 0.00 -0.37 0.00 0.00 57.07 54.47 2wmj s TYR 451 Cb -0.11 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 2wmj s TYR 451 CO 0.05 -0.95 0.03 0.95 -1.57 0.00 0.00 175.55 174.07 2wmj s THR 452 N 0.87 0.22 0.06 -0.71 -4.23 -1.26 -5.07 115.64 105.52 2wmj s THR 452 Ca 0.10 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 2wmj s THR 452 Cb -0.23 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 2wmj s THR 452 CO -0.03 -0.55 -0.19 -0.36 -0.54 0.00 0.00 174.62 172.95 2wmj s PHE 453 N -3.96 2.53 0.21 3.99 0.08 -1.26 -1.29 117.98 118.29 2wmj s PHE 453 Ca 0.21 -0.27 -0.32 0.00 0.12 0.00 0.00 56.93 56.68 2wmj s PHE 453 Cb 0.07 -1.42 -0.11 0.00 -0.57 0.00 0.00 43.02 40.99 2wmj s PHE 453 CO 0.00 0.28 1.65 -1.58 -0.10 0.00 0.00 175.22 175.48 2wmj s TRP 454 N -0.98 2.94 0.00 0.36 0.52 0.08 -2.14 118.94 119.71 2wmj s TRP 454 Ca 0.15 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.79 2wmj s TRP 454 Cb -0.10 -4.06 0.00 0.00 -1.15 0.00 0.00 33.47 28.16 2wmj s TRP 454 CO 0.06 -3.89 0.00 0.41 0.02 0.00 0.00 176.95 173.55 2wmj n GLY 455 N 3.59 0.44 2.46 0.98 0.00 -1.26 -4.53 105.19 106.88 2wmj n GLY 455 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wmj n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmj n GLY 456 N -2.00 0.54 3.74 -0.02 0.00 -0.91 -0.63 105.19 105.91 2wmj n GLY 456 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wmj n GLY 456 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmj s ASP 457 N -2.24 4.80 0.28 1.61 1.01 -1.26 -4.19 116.67 116.67 2wmj s ASP 457 Ca 0.00 2.50 0.11 0.00 0.71 0.00 0.00 52.55 55.87 2wmj s ASP 457 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2wmj s ASP 457 CO 0.00 -1.87 -0.09 0.42 0.21 0.00 0.00 175.17 173.84 2wmj s THR 458 N -1.53 2.90 0.10 -1.27 -4.23 -1.26 -4.20 115.64 106.14 2wmj s THR 458 Ca 0.80 -2.15 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 2wmj s THR 458 Cb -0.34 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 2wmj s THR 458 CO 0.38 -0.36 1.69 0.25 -0.54 0.00 0.00 174.62 176.03 2wmj h LEU 459 N 2.05 0.17 -0.13 4.79 6.46 -1.97 -1.34 115.31 125.33 2wmj h LEU 459 Ca -0.42 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.20 2wmj h LEU 459 Cb 1.25 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.14 2wmj h LEU 459 CO 0.61 0.20 -0.15 0.74 -0.62 0.00 0.00 178.44 179.23 2wmj h THR 460 N 0.12 1.36 -0.57 1.05 2.02 -1.97 -2.54 112.91 112.38 2wmj h THR 460 Ca 0.05 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.82 2wmj h THR 460 Cb 0.07 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2wmj h THR 460 CO -0.01 0.39 0.03 1.23 0.37 0.00 0.00 175.52 177.52 2wmj h GLY 461 N -0.06 1.04 0.93 2.16 0.00 -1.98 -1.03 103.07 104.12 2wmj h GLY 461 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2wmj h GLY 461 CO 0.04 0.66 -0.10 1.70 0.00 0.00 0.00 176.54 178.83 2wmj h LYS 462 N 0.89 -0.28 -0.42 4.80 1.63 -1.27 -1.63 116.57 120.29 2wmj h LYS 462 Ca 0.17 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2wmj h LYS 462 Cb 0.49 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.12 2wmj h LYS 462 CO 0.02 -0.12 0.07 2.35 -3.45 0.00 0.00 179.45 178.32 2wmj h TRP 463 N -0.37 0.11 -0.61 1.91 2.91 -1.42 -2.33 115.95 116.14 2wmj h TRP 463 Ca -0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2wmj h TRP 463 Cb 0.28 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 2wmj h TRP 463 CO -0.04 -0.01 0.40 0.93 -1.03 0.00 0.00 178.44 178.69 2wmj h GLU 464 N 0.20 0.81 -0.00 2.65 5.08 -1.03 -2.52 114.58 119.77 2wmj h GLU 464 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2wmj h GLU 464 Cb 0.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wmj h GLU 464 CO -0.28 0.55 -0.11 0.09 -1.00 0.00 0.00 179.01 178.26 2wmj n ASN 465 N -4.43 0.28 -4.70 1.42 5.03 -0.63 -4.77 115.26 107.46 2wmj n ASN 465 Ca 0.06 -0.24 -0.42 0.00 0.87 0.00 0.00 54.58 54.85 2wmj n ASN 465 Cb 0.05 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 2wmj n ASN 465 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wmj s ILE 466 N -2.65 3.36 0.23 2.41 1.01 -0.95 -4.95 121.20 119.66 2wmj s ILE 466 Ca 0.24 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 2wmj s ILE 466 Cb 0.20 -3.57 -0.15 0.00 0.01 0.00 0.00 42.46 38.94 2wmj s ILE 466 CO 0.51 0.03 1.00 -2.65 0.00 0.00 0.00 174.94 173.83 2wmj n PRO 467 N 4.67 1.08 0.05 2.79 -0.02 -1.26 -4.73 135.00 137.58 2wmj n PRO 467 Ca 0.13 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2wmj n PRO 467 Cb 0.42 -1.74 0.57 0.00 -0.02 0.00 0.00 33.50 32.73 2wmj n PRO 467 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wmj h ASP 468 N 2.35 0.19 0.89 2.55 3.32 -1.92 -0.69 116.42 123.10 2wmj h ASP 468 Ca -0.39 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2wmj h ASP 468 Cb 1.36 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2wmj h ASP 468 CO 0.63 0.12 -0.18 -2.24 -1.72 0.00 0.00 179.24 175.85 2wmj h ASP 469 N 0.22 0.00 0.84 6.45 2.03 -2.04 -2.98 116.42 120.95 2wmj h ASP 469 Ca 0.17 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.38 2wmj h ASP 469 Cb 0.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2wmj h ASP 469 CO -0.03 0.18 -1.21 0.18 -1.03 0.00 0.00 179.24 177.33 2wmj n LEU 470 N -3.37 0.86 -0.33 0.15 4.77 -0.32 -4.42 117.00 114.34 2wmj n LEU 470 Ca 0.00 0.35 0.16 0.00 -0.03 0.00 0.00 56.01 56.50 2wmj n LEU 470 Cb 0.40 0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.88 2wmj n LEU 470 CO 0.32 -0.02 1.20 0.11 -1.33 0.00 0.00 177.39 177.67 2wmj h LYS 471 N 0.00 0.60 0.00 3.23 1.57 -1.25 -0.74 116.57 119.98 2wmj h LYS 471 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2wmj h LYS 471 Cb 1.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2wmj h LYS 471 CO 0.02 0.40 0.00 -2.30 -0.57 0.00 0.00 179.45 177.00 2wmj n PRO 472 N -4.72 0.20 -0.02 3.15 -0.02 -1.26 -3.15 135.00 129.18 2wmj n PRO 472 Ca 0.24 0.14 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2wmj n PRO 472 Cb 0.67 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.68 2wmj n PRO 472 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wmj n TYR 473 N -1.33 0.00 -5.00 6.00 4.01 -0.30 -5.03 117.16 115.50 2wmj n TYR 473 Ca 0.08 -0.58 -0.27 0.00 -0.16 0.00 0.00 57.90 56.97 2wmj n TYR 473 Cb 0.16 -0.07 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 2wmj n TYR 473 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2wmj s THR 474 N -1.31 1.64 -0.04 -0.72 -4.23 -1.08 -0.82 115.64 109.08 2wmj s THR 474 Ca 0.06 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2wmj s THR 474 Cb 0.05 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2wmj s THR 474 CO 0.01 0.46 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.76 2wmj s VAL 475 N -0.29 0.92 -0.02 2.29 1.01 -0.96 -4.87 120.40 118.48 2wmj s VAL 475 Ca 0.03 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2wmj s VAL 475 Cb -0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2wmj s VAL 475 CO 0.01 0.29 1.57 -0.63 0.00 0.00 0.00 175.10 176.34 2wmj s ILE 476 N 0.34 3.52 -0.38 2.22 -1.09 -0.80 -0.99 121.20 124.02 2wmj s ILE 476 Ca -0.06 0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 59.04 2wmj s ILE 476 Cb -0.11 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2wmj s ILE 476 CO 0.01 -0.04 0.20 -1.58 -1.23 0.00 0.00 174.94 172.31 2wmj s GLN 477 N 3.27 2.77 0.15 2.79 0.74 0.38 0.51 119.66 130.27 2wmj s GLN 477 Ca 0.70 -1.15 -0.27 0.00 0.05 0.00 0.00 55.36 54.70 2wmj s GLN 477 Cb -0.34 -3.72 -0.07 0.00 1.10 0.00 0.00 33.01 29.98 2wmj s GLN 477 CO 0.29 -0.74 0.82 -0.51 -0.55 0.00 0.00 175.29 174.60 2wmj s LEU 478 N 1.52 4.56 -0.03 3.68 1.43 0.31 -0.93 118.68 129.22 2wmj s LEU 478 Ca 0.02 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2wmj s LEU 478 Cb -0.20 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2wmj s LEU 478 CO 0.06 0.13 -0.08 -2.28 0.23 0.00 0.00 176.35 174.40 2wmj s HIS 479 N -0.78 0.91 -1.54 0.29 2.46 -0.43 -0.24 115.29 115.96 2wmj s HIS 479 Ca 0.38 -0.24 0.29 0.00 0.47 0.00 0.00 55.06 55.96 2wmj s HIS 479 Cb -0.23 -0.68 1.23 0.00 -0.13 0.00 0.00 32.58 32.77 2wmj s HIS 479 CO 0.27 -0.13 1.87 -0.35 -2.47 0.00 0.00 174.74 173.93 2wmj n PRO 480 N 3.48 0.57 0.00 2.88 -0.04 -1.26 -1.06 135.00 139.56 2wmj n PRO 480 Ca -0.20 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 2wmj n PRO 480 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2wmj n PRO 480 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wmj n ASP 481 N -1.07 0.00 -1.62 3.54 2.03 -1.26 -1.02 116.55 117.15 2wmj n ASP 481 Ca 0.13 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.33 2wmj n ASP 481 Cb 0.28 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.88 2wmj n ASP 481 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wmj n ASP 482 N 2.65 3.15 -4.50 1.67 5.75 -1.24 -4.75 116.55 119.28 2wmj n ASP 482 Ca 0.00 -3.66 -0.43 0.00 -0.01 0.00 0.00 54.79 50.69 2wmj n ASP 482 Cb 0.00 -0.72 -0.00 0.00 -1.03 0.00 0.00 41.12 39.37 2wmj n ASP 482 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wmj n LEU 483 N -1.05 0.67 -4.53 -2.12 4.77 -0.19 -3.88 117.00 110.67 2wmj n LEU 483 Ca 0.44 1.02 -0.52 0.00 -0.03 0.00 0.00 56.01 56.91 2wmj n LEU 483 Cb 1.30 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2wmj n LEU 483 CO 0.37 -2.33 0.57 -2.65 -1.33 0.00 0.00 177.39 172.02 2wmj n PRO 484 N 0.60 0.61 -2.29 3.23 -0.02 -1.26 -4.38 135.00 131.49 2wmj n PRO 484 Ca 0.11 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2wmj n PRO 484 Cb 0.36 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2wmj n PRO 484 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wmj n LYS 485 N 1.64 3.18 -3.77 -0.52 5.02 -1.26 -4.50 118.16 117.96 2wmj n LYS 485 Ca 0.17 -3.17 -0.09 0.00 -2.02 0.00 0.00 58.31 53.20 2wmj n LYS 485 Cb 0.19 -3.25 -0.04 0.00 -0.02 0.00 0.00 35.03 31.91 2wmj n LYS 485 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmj s ARG 486 N 2.76 1.41 0.32 1.97 1.70 -1.26 -4.95 118.95 120.90 2wmj s ARG 486 Ca 0.47 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 2wmj s ARG 486 Cb 0.07 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.86 2wmj s ARG 486 CO -0.01 -0.60 1.58 0.34 -1.08 0.00 0.00 175.30 175.54 2wmj s ASP 487 N -2.89 6.34 0.00 -2.89 2.15 -1.26 -3.26 116.67 114.86 2wmj s ASP 487 Ca 0.10 3.00 0.00 0.00 0.43 0.00 0.00 52.55 56.08 2wmj s ASP 487 Cb -0.01 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2wmj s ASP 487 CO -0.01 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2wmj n GLY 488 N 1.72 3.15 0.19 2.66 0.00 -1.26 -4.90 105.19 106.74 2wmj n GLY 488 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2wmj n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmj h ALA 489 N 0.00 -0.40 -0.56 4.61 0.00 -1.84 -0.62 119.26 120.45 2wmj h ALA 489 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wmj h ALA 489 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wmj h ALA 489 CO 0.00 -0.67 0.13 0.00 0.00 0.00 0.00 179.25 178.71 2wmj h ALA 490 N 0.17 0.74 -0.52 0.00 0.00 -1.80 -1.92 119.26 115.93 2wmj h ALA 490 Ca -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2wmj h ALA 490 Cb 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2wmj h ALA 490 CO 0.07 0.45 0.25 0.00 0.00 0.00 0.00 179.25 180.02 2wmj h ARG 491 N 0.80 0.48 0.06 0.00 3.08 -1.82 -0.52 114.38 116.45 2wmj h ARG 491 Ca 0.17 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wmj h ARG 491 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wmj h ARG 491 CO 0.00 0.32 -0.03 0.22 -1.07 0.00 0.00 179.97 179.41 2wmj h ASP 492 N 0.49 -0.07 -0.04 7.04 1.82 -0.91 -0.67 116.42 124.09 2wmj h ASP 492 Ca 0.23 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2wmj h ASP 492 Cb 0.16 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 2wmj h ASP 492 CO -0.17 0.12 0.03 0.15 -1.61 0.00 0.00 179.24 177.75 2wmj h PHE 493 N -0.25 0.05 -0.57 0.28 3.57 -1.31 -2.19 116.94 116.53 2wmj h PHE 493 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wmj h PHE 493 Cb 0.22 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2wmj h PHE 493 CO -0.02 0.03 0.23 1.88 -2.23 0.00 0.00 178.31 178.20 2wmj h TYR 494 N 0.06 0.86 -0.71 0.41 0.05 -1.06 -2.28 116.97 114.30 2wmj h TYR 494 Ca 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2wmj h TYR 494 Cb -0.01 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 2wmj h TYR 494 CO -0.08 0.69 0.46 0.93 -1.05 0.00 0.00 178.16 179.12 2wmj h GLU 495 N 0.77 0.94 -0.42 4.88 5.08 -1.07 0.83 114.58 125.59 2wmj h GLU 495 Ca 0.19 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2wmj h GLU 495 Cb 0.20 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 2wmj h GLU 495 CO -0.02 0.63 0.08 1.25 -1.00 0.00 0.00 179.01 179.96 2wmj h HIS 496 N 0.96 0.12 -0.14 4.33 2.76 -1.24 -1.54 115.15 120.39 2wmj h HIS 496 Ca 0.26 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.26 2wmj h HIS 496 Cb -0.09 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 2wmj h HIS 496 CO -0.02 -0.00 -0.69 0.52 -1.30 0.00 0.00 177.93 176.44 2wmj h MET 497 N 0.21 0.60 -0.38 5.26 2.86 -1.15 -2.31 114.93 120.01 2wmj h MET 497 Ca 0.21 -0.45 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2wmj h MET 497 Cb 0.26 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2wmj h MET 497 CO -0.28 1.07 0.03 -0.07 1.06 0.00 0.00 176.91 178.72 2wmj h LEU 498 N 0.42 0.55 -0.30 1.22 3.38 -0.70 -1.11 115.31 118.77 2wmj h LEU 498 Ca -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2wmj h LEU 498 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2wmj h LEU 498 CO 0.13 0.60 0.03 -0.33 0.09 0.00 0.00 178.44 178.95 2wmj h GLU 499 N 0.56 0.51 -0.43 1.13 4.39 -1.18 -0.65 114.58 118.92 2wmj h GLU 499 Ca 0.12 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2wmj h GLU 499 Cb 0.31 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2wmj h GLU 499 CO 0.01 0.63 0.21 1.49 -1.16 0.00 0.00 179.01 180.19 2wmj h GLU 500 N 0.32 0.41 -0.39 2.33 4.81 -1.11 -1.68 114.58 119.28 2wmj h GLU 500 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2wmj h GLU 500 Cb 0.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2wmj h GLU 500 CO 0.01 0.27 0.18 0.00 -0.73 0.00 0.00 179.01 178.75 2wmj h ALA 501 N 1.23 0.50 -0.62 2.92 0.00 -1.12 -2.78 119.26 119.38 2wmj h ALA 501 Ca 0.18 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2wmj h ALA 501 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wmj h ALA 501 CO -0.13 0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.23 2wmj h ALA 502 N 1.03 0.90 -0.51 0.00 0.00 -0.86 0.40 119.26 120.21 2wmj h ALA 502 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wmj h ALA 502 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wmj h ALA 502 CO -0.02 0.66 0.00 0.36 0.00 0.00 0.00 179.25 180.26 2wmj n LYS 503 N -4.19 3.58 -1.70 0.00 2.85 -0.65 -4.20 118.16 113.84 2wmj n LYS 503 Ca 0.04 -2.41 -0.43 0.00 -1.05 0.00 0.00 58.31 54.45 2wmj n LYS 503 Cb 0.32 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 32.77 2wmj n LYS 503 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2wmj n TYR 504 N 0.75 2.54 -3.93 5.58 9.36 -1.06 -4.90 117.16 125.50 2wmj n TYR 504 Ca 0.22 0.25 -0.35 0.00 3.32 0.00 0.00 57.90 61.34 2wmj n TYR 504 Cb 0.85 -2.57 -0.14 0.00 -0.63 0.00 0.00 39.34 36.85 2wmj n TYR 504 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wmj s VAL 505 N 0.44 3.30 -0.14 2.97 1.01 -1.26 -1.04 120.40 125.68 2wmj s VAL 505 Ca 0.71 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2wmj s VAL 505 Cb -0.58 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2wmj s VAL 505 CO 0.43 0.43 1.58 0.21 0.00 0.00 0.00 175.10 177.75 2wmj s ASN 506 N 1.46 6.59 -0.50 3.32 3.84 -0.41 -4.93 114.94 124.30 2wmj s ASN 506 Ca 0.06 1.89 0.08 0.00 0.21 0.00 0.00 52.86 55.09 2wmj s ASN 506 Cb -0.14 -2.53 0.29 0.00 -0.55 0.00 0.00 41.25 38.32 2wmj s ASN 506 CO -0.04 -1.04 0.74 -0.81 -2.79 0.00 0.00 177.10 173.16 2wmj n PRO 507 N 7.28 1.93 0.00 0.43 -0.04 -1.26 0.17 135.00 143.50 2wmj n PRO 507 Ca 0.17 -4.08 0.00 0.00 -0.04 0.00 0.00 63.50 59.55 2wmj n PRO 507 Cb 0.44 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2wmj n PRO 507 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wmj n LYS 508 N 0.58 0.00 0.00 0.54 2.85 -1.26 -4.92 118.16 115.95 2wmj n LYS 508 Ca 0.27 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 2wmj n LYS 508 Cb 0.49 -0.08 0.66 0.00 -0.65 0.00 0.00 35.03 35.45 2wmj n LYS 508 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2wmj n THR 509 N 0.00 0.15 -0.54 0.58 -2.24 -0.98 -4.87 114.28 106.38 2wmj n THR 509 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2wmj n THR 509 Cb 0.00 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2wmj n THR 509 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmj n GLY 510 N 0.83 0.08 3.76 3.38 0.00 0.44 -4.97 105.19 108.71 2wmj n GLY 510 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2wmj n GLY 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmj s LYS 511 N -0.92 4.49 -0.16 1.61 1.02 -1.20 -4.77 119.74 119.81 2wmj s LYS 511 Ca 0.00 1.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 2wmj s LYS 511 Cb 0.00 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 2wmj s LYS 511 CO 0.00 0.39 2.13 1.21 -0.92 0.00 0.00 175.35 178.16 2wmj s ASN 512 N -0.43 5.71 -0.50 2.83 2.47 -1.26 -1.28 114.94 122.48 2wmj s ASN 512 Ca 0.37 2.04 0.03 0.00 0.42 0.00 0.00 52.86 55.72 2wmj s ASN 512 Cb -0.21 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.22 2wmj s ASN 512 CO 0.23 -1.73 0.30 -1.61 -3.72 0.00 0.00 177.10 170.57 2wmj s GLU 513 N 5.86 1.61 0.19 0.43 2.02 -0.21 -4.96 118.70 123.65 2wmj s GLU 513 Ca 0.96 -2.39 -0.33 0.00 0.02 0.00 0.00 54.97 53.24 2wmj s GLU 513 Cb -0.35 -2.66 -0.14 0.00 0.10 0.00 0.00 34.13 31.08 2wmj s GLU 513 CO 0.36 -1.19 1.45 -2.30 0.02 0.00 0.00 175.26 173.60 2wmj n PRO 514 N 3.11 1.93 -2.44 0.39 -0.02 -1.26 -4.62 135.00 132.09 2wmj n PRO 514 Ca 0.12 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 2wmj n PRO 514 Cb 0.35 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2wmj n PRO 514 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wmj s ILE 515 N 0.34 4.11 0.22 4.25 1.01 0.11 -4.97 121.20 126.28 2wmj s ILE 515 Ca 0.74 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 2wmj s ILE 515 Cb -0.70 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 37.71 2wmj s ILE 515 CO 0.45 0.10 1.27 -2.16 0.00 0.00 0.00 174.94 174.59 2wmj s PRO 516 N 1.26 4.43 0.02 2.79 0.04 -1.26 -4.70 135.00 137.59 2wmj s PRO 516 Ca 0.58 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.69 2wmj s PRO 516 Cb -0.28 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2wmj s PRO 516 CO 0.28 -0.17 -0.14 0.08 0.04 0.00 0.00 177.00 177.09 2wmj s VAL 517 N -0.23 1.12 -0.06 -0.36 1.01 -0.21 -1.91 120.40 119.77 2wmj s VAL 517 Ca 0.54 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2wmj s VAL 517 Cb -0.36 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2wmj s VAL 517 CO 0.40 0.12 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 2wmj s ILE 518 N -0.66 2.47 -0.15 2.22 1.01 0.18 -1.42 121.20 124.86 2wmj s ILE 518 Ca 0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2wmj s ILE 518 Cb -0.07 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2wmj s ILE 518 CO 0.01 0.57 0.05 -0.76 0.00 0.00 0.00 174.94 174.81 2wmj s LEU 519 N -0.37 3.77 -0.33 2.97 1.43 -1.10 -0.53 118.68 124.52 2wmj s LEU 519 Ca 0.03 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2wmj s LEU 519 Cb -0.12 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2wmj s LEU 519 CO 0.02 0.25 1.21 -0.89 0.23 0.00 0.00 176.35 177.17 2wmj s THR 520 N -0.12 4.27 -0.24 5.49 2.01 0.66 -0.68 115.64 127.04 2wmj s THR 520 Ca 0.06 1.43 0.08 0.00 0.31 0.00 0.00 61.69 63.57 2wmj s THR 520 Cb -0.12 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 2wmj s THR 520 CO 0.01 -0.55 0.27 1.33 -0.69 0.00 0.00 174.62 175.00 2wmj n VAL 521 N 6.18 0.00 -3.68 3.82 0.24 0.13 -4.70 118.33 120.33 2wmj n VAL 521 Ca 0.13 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 2wmj n VAL 521 Cb 0.47 0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 33.50 2wmj n VAL 521 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2wmj s TYR 522 N -1.98 -0.59 -0.04 6.34 5.04 -1.19 -4.74 117.35 120.19 2wmj s TYR 522 Ca 0.01 1.23 -0.30 0.00 -2.44 0.00 0.00 57.07 55.57 2wmj s TYR 522 Cb 0.05 0.17 0.07 0.00 0.35 0.00 0.00 41.96 42.61 2wmj s TYR 522 CO 0.31 -0.38 0.66 -0.08 -1.34 0.00 0.00 175.55 174.72 2wmj s THR 523 N 2.09 0.00 -1.60 4.34 -1.32 -1.26 -1.44 115.64 116.44 2wmj s THR 523 Ca -0.04 -0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.27 2wmj s THR 523 Cb -0.11 -0.98 0.11 0.00 -1.51 0.00 0.00 72.50 70.01 2wmj s THR 523 CO -0.11 -0.01 0.85 0.00 -2.21 0.00 0.00 174.62 173.13 2wmj n ALA 524 N 0.86 -1.34 -0.94 11.08 0.00 -0.83 -0.28 120.51 129.05 2wmj n ALA 524 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2wmj n ALA 524 Cb 0.57 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.26 2wmj n ALA 524 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmj n GLY 525 N -1.57 0.23 2.90 0.00 0.00 -1.25 -2.83 105.19 102.66 2wmj n GLY 525 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2wmj n GLY 525 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmj n ASN 526 N -0.49 -3.23 -4.75 1.61 5.03 0.61 -4.77 115.26 109.26 2wmj n ASN 526 Ca 0.00 -0.04 -0.41 0.00 0.87 0.00 0.00 54.58 55.00 2wmj n ASN 526 Cb 0.25 -2.74 -0.02 0.00 -1.02 0.00 0.00 39.78 36.24 2wmj n ASN 526 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2wmj s MET 527 N -5.50 4.25 0.22 3.52 -1.94 -1.13 -4.41 119.30 114.31 2wmj s MET 527 Ca 0.19 2.35 0.20 0.00 -1.71 0.00 0.00 55.69 56.72 2wmj s MET 527 Cb -0.10 -3.08 0.91 0.00 2.01 0.00 0.00 34.83 34.57 2wmj s MET 527 CO 0.23 -0.43 1.62 -0.35 -0.01 0.00 0.00 175.02 176.08 2wmj n PRO 528 N 2.00 0.14 0.00 2.03 -0.04 -1.26 -0.66 135.00 137.21 2wmj n PRO 528 Ca 0.06 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 2wmj n PRO 528 Cb 0.40 -1.82 0.47 0.00 -0.04 0.00 0.00 33.50 32.51 2wmj n PRO 528 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wmj n TYR 529 N -2.09 0.00 -0.03 0.54 0.18 -1.26 -4.40 117.16 110.09 2wmj n TYR 529 Ca 0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.76 2wmj n TYR 529 Cb 0.16 -0.03 -0.04 0.00 -0.38 0.00 0.00 39.34 39.05 2wmj n TYR 529 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2wmj n TYR 530 N 0.05 0.00 -3.67 -3.48 4.01 0.17 -5.10 117.16 109.14 2wmj n TYR 530 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 2wmj n TYR 530 Cb 0.37 -0.30 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 2wmj n TYR 530 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2wmj s THR 531 N -2.15 0.00 0.14 -0.72 -1.32 -0.82 -4.99 115.64 105.78 2wmj s THR 531 Ca -0.05 -0.00 0.31 0.00 -1.21 0.00 0.00 61.69 60.74 2wmj s THR 531 Cb 0.02 -0.81 0.31 0.00 -1.51 0.00 0.00 72.50 70.51 2wmj s THR 531 CO 0.23 -0.00 1.94 0.77 -2.21 0.00 0.00 174.62 175.35 2wmj h SER 532 N 5.17 0.00 0.78 8.08 4.64 -1.79 -2.80 113.55 127.63 2wmj h SER 532 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2wmj h SER 532 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wmj h SER 532 CO 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 2wmj h ALA 533 N 2.00 1.00 -1.00 5.18 0.00 -1.93 -2.65 119.26 121.87 2wmj h ALA 533 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.19 2wmj h ALA 533 Cb 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 2wmj h ALA 533 CO 0.00 0.00 0.58 1.25 0.00 0.00 0.00 179.25 181.08 2wmj h HIS 534 N 0.00 0.98 -0.88 0.00 6.17 -1.70 -2.22 115.15 117.50 2wmj h HIS 534 Ca 0.00 0.04 -0.57 0.00 0.71 0.00 0.00 60.37 60.54 2wmj h HIS 534 Cb 0.39 -0.27 -0.26 0.00 2.52 0.00 0.00 27.41 29.79 2wmj h HIS 534 CO 0.00 -0.05 0.74 0.91 0.71 0.00 0.00 177.93 180.24 2wmj n TRP 535 N -4.97 2.82 -3.82 5.26 8.01 -1.00 -4.74 117.44 119.02 2wmj n TRP 535 Ca 0.29 -2.59 -0.36 0.00 -1.31 0.00 0.00 57.50 53.54 2wmj n TRP 535 Cb 0.86 -1.26 -0.12 0.00 -2.01 0.00 0.00 31.31 28.78 2wmj n TRP 535 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2wmj s LEU 536 N -3.28 4.98 0.62 -0.99 1.43 -0.84 -4.57 118.68 116.02 2wmj s LEU 536 Ca 0.56 -1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 51.62 2wmj s LEU 536 Cb 0.44 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2wmj s LEU 536 CO 0.01 -0.48 1.05 -0.94 0.23 0.00 0.00 176.35 176.22 2wmj s SER 537 N 1.64 5.78 0.27 2.29 1.04 -1.26 -4.92 113.70 118.54 2wmj s SER 537 Ca 0.06 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.19 2wmj s SER 537 Cb -0.22 -2.52 0.38 0.00 0.10 0.00 0.00 66.02 63.76 2wmj s SER 537 CO -0.04 -1.17 1.83 0.74 0.98 0.00 0.00 173.24 175.57 2wmj h THR 538 N 0.13 1.23 -0.45 2.02 2.02 -1.99 -1.62 112.91 114.25 2wmj h THR 538 Ca -0.46 -0.80 0.08 0.00 0.77 0.00 0.00 66.41 66.01 2wmj h THR 538 Cb 1.21 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2wmj h THR 538 CO 0.58 0.30 -0.01 -1.28 0.37 0.00 0.00 175.52 175.48 2wmj h SER 539 N 0.85 -0.21 -0.40 4.18 0.87 -1.99 0.27 113.55 117.10 2wmj h SER 539 Ca 0.19 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2wmj h SER 539 Cb 0.27 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2wmj h SER 539 CO -0.01 -0.07 0.16 -0.25 -0.53 0.00 0.00 176.83 176.14 2wmj h TRP 540 N 0.10 0.62 -0.59 2.24 7.01 -1.83 -1.77 115.95 121.72 2wmj h TRP 540 Ca 0.22 -0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.23 2wmj h TRP 540 Cb 0.33 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 2wmj h TRP 540 CO -0.30 0.55 0.30 0.82 -2.79 0.00 0.00 178.44 177.02 2wmj h ILE 541 N 0.51 0.94 -0.62 2.65 2.04 -0.91 -0.45 117.51 121.67 2wmj h ILE 541 Ca 0.13 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2wmj h ILE 541 Cb 0.19 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2wmj h ILE 541 CO -0.01 0.10 0.38 -0.78 0.00 0.00 0.00 178.15 177.85 2wmj h ASP 542 N 0.57 0.63 -0.67 1.72 3.58 -0.69 -1.26 116.42 120.31 2wmj h ASP 542 Ca 0.27 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 2wmj h ASP 542 Cb 0.19 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2wmj h ASP 542 CO -0.19 0.44 0.28 0.50 -2.88 0.00 0.00 179.24 177.40 2wmj h LYS 543 N 0.76 1.00 -0.31 0.28 3.64 -0.79 -1.81 116.57 119.35 2wmj h LYS 543 Ca 0.25 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2wmj h LYS 543 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2wmj h LYS 543 CO -0.09 0.82 0.11 0.52 -2.27 0.00 0.00 179.45 178.53 2wmj h MET 544 N 0.95 0.47 -0.51 1.90 2.86 -0.83 -1.14 114.93 118.63 2wmj h MET 544 Ca 0.23 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2wmj h MET 544 Cb 0.19 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 2wmj h MET 544 CO -0.02 0.50 0.17 1.88 1.06 0.00 0.00 176.91 180.50 2wmj h TYR 545 N 0.34 0.30 -0.26 -0.22 0.99 -1.09 -0.11 116.97 116.92 2wmj h TYR 545 Ca 0.10 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 2wmj h TYR 545 Cb 0.22 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 2wmj h TYR 545 CO 0.00 0.09 -0.13 1.96 -0.00 0.00 0.00 178.16 180.08 2wmj h GLN 546 N 0.34 0.43 0.04 4.88 4.20 -1.17 -3.16 115.11 120.67 2wmj h GLN 546 Ca 0.25 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.60 2wmj h GLN 546 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2wmj h GLN 546 CO -0.26 0.56 -1.11 -0.22 -0.67 0.00 0.00 178.83 177.13 2wmj h LYS 547 N 0.40 0.08 -3.81 1.46 3.64 -0.78 -3.44 116.57 114.12 2wmj h LYS 547 Ca 0.08 -0.14 -0.62 0.00 -1.27 0.00 0.00 60.65 58.70 2wmj h LYS 547 Cb 0.47 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 31.94 2wmj h LYS 547 CO 0.03 1.04 -0.72 0.71 -2.27 0.00 0.00 179.45 178.24 2wmj s TYR 548 N -2.69 2.67 0.60 1.91 2.02 -0.09 -4.96 117.35 116.81 2wmj s TYR 548 Ca -0.01 -2.51 0.30 0.00 -0.37 0.00 0.00 57.07 54.49 2wmj s TYR 548 Cb 0.09 -2.32 1.77 0.00 -0.40 0.00 0.00 41.96 41.11 2wmj s TYR 548 CO 0.84 -0.87 2.18 -1.35 -1.57 0.00 0.00 175.55 174.79 2wmj h PRO 549 N 7.44 0.00 0.00 -1.71 0.11 -1.86 -0.55 132.00 135.43 2wmj h PRO 549 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wmj h PRO 549 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wmj h PRO 549 CO 0.52 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.58 2wmj n ASN 550 N -3.77 0.00 -4.57 -2.05 6.94 -1.26 -4.58 115.26 105.98 2wmj n ASN 550 Ca -0.01 0.21 -0.41 0.00 -0.02 0.00 0.00 54.58 54.35 2wmj n ASN 550 Cb 0.20 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 2wmj n ASN 550 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2wmj s LEU 551 N -2.79 3.34 0.02 -4.53 2.96 -0.22 -1.05 118.68 116.42 2wmj s LEU 551 Ca 0.19 0.16 0.22 0.00 -0.22 0.00 0.00 54.13 54.47 2wmj s LEU 551 Cb 0.17 -2.89 -0.13 0.00 0.50 0.00 0.00 46.19 43.85 2wmj s LEU 551 CO 0.44 -1.82 0.85 1.41 -1.32 0.00 0.00 176.35 175.91 2wmj n HIS 552 N 9.97 0.13 -3.72 5.38 8.25 -0.51 -4.88 115.22 129.84 2wmj n HIS 552 Ca 0.12 0.04 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 2wmj n HIS 552 Cb 0.50 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2wmj n HIS 552 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wmj s GLY 553 N -3.69 -0.32 0.11 -1.41 0.00 -1.25 -1.19 107.32 99.58 2wmj s GLY 553 Ca 0.02 0.48 0.05 0.00 0.00 0.00 0.00 44.72 45.27 2wmj s GLY 553 CO 0.85 1.58 -0.12 -0.26 0.00 0.00 0.00 173.10 175.15 2wmj s ILE 554 N -2.32 1.12 -0.06 0.90 -4.36 -0.02 -2.72 121.20 113.73 2wmj s ILE 554 Ca 0.18 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2wmj s ILE 554 Cb 0.03 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.27 2wmj s ILE 554 CO -0.03 -0.53 -0.04 0.12 0.24 0.00 0.00 174.94 174.70 2wmj s PHE 555 N -2.46 0.85 -0.10 1.37 5.36 0.15 -0.74 117.98 122.40 2wmj s PHE 555 Ca 0.08 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 55.76 2wmj s PHE 555 Cb -0.03 -0.79 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2wmj s PHE 555 CO 0.01 -0.27 -0.03 0.45 -1.46 0.00 0.00 175.22 173.92 2wmj s SER 556 N 1.29 4.95 -0.15 6.13 0.15 0.40 -0.69 113.70 125.78 2wmj s SER 556 Ca -0.05 0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.53 2wmj s SER 556 Cb -0.14 -1.47 0.05 0.00 -1.71 0.00 0.00 66.02 62.75 2wmj s SER 556 CO -0.02 0.31 0.36 0.28 1.20 0.00 0.00 173.24 175.37 2wmj s THR 557 N -0.50 -0.02 -0.46 6.45 -1.32 -0.52 -0.37 115.64 118.89 2wmj s THR 557 Ca 0.08 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.49 2wmj s THR 557 Cb -0.12 -0.54 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2wmj s THR 557 CO 0.02 0.04 0.61 1.21 -2.21 0.00 0.00 174.62 174.29 2wmj n GLU 558 N 4.00 -2.25 0.00 7.08 2.13 -0.72 -3.81 120.64 127.08 2wmj n GLU 558 Ca -0.22 2.01 0.00 0.00 0.66 0.00 0.00 57.16 59.61 2wmj n GLU 558 Cb 0.55 -5.38 0.00 0.00 0.27 0.00 0.00 31.44 26.88 2wmj n GLU 558 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wmj n ASN 559 N -0.44 0.49 -0.30 4.31 3.02 -1.26 -1.97 115.26 119.10 2wmj n ASN 559 Ca 0.09 -0.75 0.18 0.00 -0.03 0.00 0.00 54.58 54.07 2wmj n ASN 559 Cb 0.48 0.38 0.45 0.00 -0.61 0.00 0.00 39.78 40.49 2wmj n ASN 559 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wmj h TYR 560 N 0.00 0.74 -0.01 3.10 -0.00 -1.90 -0.52 116.97 118.40 2wmj h TYR 560 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 2wmj h TYR 560 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 36.73 36.54 2wmj h TYR 560 CO 0.00 0.15 -0.12 -2.67 -0.00 0.00 0.00 178.16 175.52 2wmj n TRP 561 N -4.63 0.00 -3.02 0.10 4.27 -1.26 -4.27 117.44 108.63 2wmj n TRP 561 Ca 0.22 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.66 2wmj n TRP 561 Cb 0.72 -0.14 -0.02 0.00 -1.36 0.00 0.00 31.31 30.50 2wmj n TRP 561 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2wmj n ILE 562 N -0.77 -0.44 -2.66 -1.67 0.13 -0.22 -5.08 119.36 108.66 2wmj n ILE 562 Ca 0.15 -2.98 -0.42 0.00 -1.10 0.00 0.00 62.75 58.41 2wmj n ILE 562 Cb 0.29 -0.57 -0.02 0.00 -0.84 0.00 0.00 39.64 38.49 2wmj n ILE 562 CO 0.00 0.00 0.00 0.86 2.80 0.00 0.00 176.55 180.21 2wmj s TRP 563 N -0.38 2.73 0.80 9.51 -0.11 -1.14 -3.90 118.94 126.45 2wmj s TRP 563 Ca 0.34 -1.10 -0.13 0.00 1.22 0.00 0.00 56.10 56.42 2wmj s TRP 563 Cb 0.19 -4.59 0.08 0.00 -1.50 0.00 0.00 33.47 27.64 2wmj s TRP 563 CO -0.16 -1.80 1.20 0.00 -4.62 0.00 0.00 176.95 171.56 2wmj s ALA 564 N 4.24 1.89 0.45 5.86 0.00 -1.26 -4.92 121.76 128.01 2wmj s ALA 564 Ca 0.44 0.81 0.11 0.00 0.00 0.00 0.00 51.96 53.31 2wmj s ALA 564 Cb -0.01 -3.48 1.00 0.00 0.00 0.00 0.00 23.12 20.64 2wmj s ALA 564 CO -0.08 -2.21 2.07 -0.91 0.00 0.00 0.00 175.76 174.63 2wmj h ASN 565 N -0.84 0.32 -0.22 0.00 2.35 -1.94 -2.55 115.58 112.70 2wmj h ASN 565 Ca -0.46 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 2wmj h ASN 565 Cb 1.29 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 2wmj h ASN 565 CO 0.47 0.23 -0.05 -0.90 -1.65 0.00 0.00 177.43 175.52 2wmj n ASP 566 N -4.49 3.03 -0.21 5.81 5.75 -1.26 -4.78 116.55 120.39 2wmj n ASP 566 Ca 0.02 -3.31 -0.02 0.00 -0.01 0.00 0.00 54.79 51.48 2wmj n ASP 566 Cb 0.11 -0.55 0.09 0.00 -1.03 0.00 0.00 41.12 39.75 2wmj n ASP 566 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2wmj h ILE 567 N 1.15 0.93 -0.48 2.12 2.10 -1.81 -0.25 117.51 121.26 2wmj h ILE 567 Ca 0.07 -0.21 -0.09 0.00 1.08 0.00 0.00 64.86 65.70 2wmj h ILE 567 Cb 1.39 0.28 -0.02 0.00 -1.09 0.00 0.00 36.82 37.38 2wmj h ILE 567 CO 0.21 0.11 -0.07 -0.33 -1.08 0.00 0.00 178.15 177.00 2wmj h GLU 568 N 0.61 0.90 -0.73 2.19 3.07 -1.86 -0.60 114.58 118.16 2wmj h GLU 568 Ca 0.29 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2wmj h GLU 568 Cb 0.21 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2wmj h GLU 568 CO -0.20 0.97 0.48 -0.91 -1.40 0.00 0.00 179.01 177.95 2wmj h ASN 569 N 0.75 0.82 -0.49 1.42 2.35 -1.86 -1.73 115.58 116.85 2wmj h ASN 569 Ca 0.13 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 2wmj h ASN 569 Cb 0.61 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2wmj h ASN 569 CO 0.04 0.59 -0.14 0.11 -1.65 0.00 0.00 177.43 176.39 2wmj h LYS 570 N 0.97 0.95 -0.57 0.81 1.79 -0.80 -2.47 116.57 117.24 2wmj h LYS 570 Ca 0.27 -0.37 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2wmj h LYS 570 Cb -0.10 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 2wmj h LYS 570 CO -0.06 1.04 0.38 0.00 -1.08 0.00 0.00 179.45 179.72 2wmj h ALA 571 N 0.88 0.73 -0.76 3.86 0.00 -0.91 0.46 119.26 123.53 2wmj h ALA 571 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2wmj h ALA 571 Cb 0.70 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2wmj h ALA 571 CO 0.05 0.16 0.43 0.00 0.00 0.00 0.00 179.25 179.89 2wmj h ALA 572 N 1.21 1.04 -0.54 0.00 0.00 -1.23 0.11 119.26 119.86 2wmj h ALA 572 Ca 0.21 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2wmj h ALA 572 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wmj h ALA 572 CO -0.05 0.09 0.06 -0.44 0.00 0.00 0.00 179.25 178.91 2wmj h ASP 573 N 0.76 0.88 -0.77 0.00 3.32 -0.82 0.55 116.42 120.34 2wmj h ASP 573 Ca 0.35 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2wmj h ASP 573 Cb 0.26 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2wmj h ASP 573 CO -0.21 0.94 0.35 1.88 -1.72 0.00 0.00 179.24 180.48 2wmj h TYR 574 N 0.80 1.13 -0.34 4.55 0.05 -0.62 -0.90 116.97 121.63 2wmj h TYR 574 Ca 0.16 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 2wmj h TYR 574 Cb 0.45 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2wmj h TYR 574 CO 0.03 0.84 -0.11 1.25 -1.05 0.00 0.00 178.16 179.12 2wmj h LEU 575 N 1.10 0.69 -0.14 3.88 5.85 -0.73 -2.36 115.31 123.60 2wmj h LEU 575 Ca 0.26 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2wmj h LEU 575 Cb 0.15 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2wmj h LEU 575 CO -0.03 0.91 0.07 0.50 -0.34 0.00 0.00 178.44 179.55 2wmj h LYS 576 N 0.46 0.19 -0.07 1.25 3.64 -0.79 -1.34 116.57 119.92 2wmj h LYS 576 Ca 0.08 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2wmj h LYS 576 Cb 0.63 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2wmj h LYS 576 CO 0.04 0.23 -0.25 -0.24 -2.27 0.00 0.00 179.45 176.96 2wmj h VAL 577 N 0.11 1.21 -0.11 2.00 3.04 -1.18 -0.64 116.25 120.68 2wmj h VAL 577 Ca 0.05 -0.99 -0.06 0.00 -1.01 0.00 0.00 66.70 64.69 2wmj h VAL 577 Cb 0.10 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2wmj h VAL 577 CO -0.01 0.29 -0.17 0.28 -1.01 0.00 0.00 177.57 176.96 2wmj h SER 578 N 0.10 0.33 -0.78 3.17 0.02 -1.25 -2.95 113.55 112.20 2wmj h SER 578 Ca 0.02 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2wmj h SER 578 Cb 0.50 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2wmj h SER 578 CO 0.04 0.80 0.47 0.00 -1.14 0.00 0.00 176.83 177.00 2wmj h ALA 579 N 0.54 1.00 -0.14 3.77 0.00 -0.84 0.25 119.26 123.84 2wmj h ALA 579 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wmj h ALA 579 Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2wmj h ALA 579 CO 0.04 0.47 0.10 -0.22 0.00 0.00 0.00 179.25 179.63 2wmj h LYS 580 N 1.07 0.05 -0.18 0.00 3.64 -1.16 -2.23 116.57 117.76 2wmj h LYS 580 Ca 0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2wmj h LYS 580 Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wmj h LYS 580 CO -0.05 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.25 2wmj n ASN 581 N -4.51 2.76 -0.66 4.20 4.13 -0.59 -4.33 115.26 116.26 2wmj n ASN 581 Ca -0.00 -1.81 -0.09 0.00 1.68 0.00 0.00 54.58 54.36 2wmj n ASN 581 Cb 0.18 -0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 2wmj n ASN 581 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmj n GLY 582 N 1.02 1.03 3.57 7.41 0.00 -0.08 -4.82 105.19 113.32 2wmj n GLY 582 Ca 0.13 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 2wmj n GLY 582 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmj n GLY 583 N -1.70 1.98 3.57 -0.02 0.00 0.68 -1.04 105.19 108.66 2wmj n GLY 583 Ca -0.09 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 2wmj n GLY 583 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wmj s TYR 584 N -2.30 2.89 -0.33 1.61 2.02 -0.33 -4.06 117.35 116.85 2wmj s TYR 584 Ca 0.55 -0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 57.07 2wmj s TYR 584 Cb -0.04 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2wmj s TYR 584 CO 0.35 0.32 0.43 0.12 -1.57 0.00 0.00 175.55 175.20 2wmj s PHE 585 N -0.84 3.20 -0.20 2.71 5.36 -0.01 -0.84 117.98 127.36 2wmj s PHE 585 Ca 0.13 0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.19 2wmj s PHE 585 Cb -0.11 -2.76 -0.03 0.00 -0.34 0.00 0.00 43.02 39.77 2wmj s PHE 585 CO 0.03 -0.44 0.04 0.42 -1.46 0.00 0.00 175.22 173.80 2wmj s ILE 586 N 2.19 4.41 -0.20 3.12 1.01 0.08 -1.01 121.20 130.80 2wmj s ILE 586 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2wmj s ILE 586 Cb -0.16 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.35 2wmj s ILE 586 CO 0.12 0.43 -0.12 0.86 0.00 0.00 0.00 174.94 176.23 2wmj s TRP 587 N 0.75 2.62 -0.32 3.97 -0.11 -0.35 -0.45 118.94 125.06 2wmj s TRP 587 Ca 0.02 -1.72 -0.12 0.00 1.22 0.00 0.00 56.10 55.50 2wmj s TRP 587 Cb -0.14 -1.74 -0.03 0.00 -1.50 0.00 0.00 33.47 30.07 2wmj s TRP 587 CO 0.02 -0.78 0.24 0.00 -4.62 0.00 0.00 176.95 171.81 2wmj s ALA 588 N 1.33 3.52 -0.05 5.86 0.00 0.50 -0.79 121.76 132.13 2wmj s ALA 588 Ca -0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 2wmj s ALA 588 Cb -0.16 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.38 2wmj s ALA 588 CO -0.09 -0.82 0.38 -2.00 0.00 0.00 0.00 175.76 173.24 2wmj s GLU 589 N 1.77 0.68 0.05 0.00 2.56 -0.33 -1.75 118.70 121.68 2wmj s GLU 589 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.97 55.13 2wmj s GLU 589 Cb -0.17 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.24 2wmj s GLU 589 CO 0.11 -0.18 -0.09 -1.14 -0.56 0.00 0.00 175.26 173.40 2wmj s GLN 590 N -0.97 2.34 0.00 4.30 2.00 -1.26 -3.03 119.66 123.03 2wmj s GLN 590 Ca -0.10 -0.87 0.00 0.00 -2.00 0.00 0.00 55.36 52.39 2wmj s GLN 590 Cb -0.04 -2.39 0.00 0.00 0.80 0.00 0.00 33.01 31.38 2wmj s GLN 590 CO 0.04 0.56 0.74 -1.71 -0.50 0.00 0.00 175.29 174.42 2wmj n ASN 591 N 1.24 2.19 -4.77 6.67 5.15 -1.26 -4.49 115.26 119.99 2wmj n ASN 591 Ca -0.15 -1.42 -0.41 0.00 -0.60 0.00 0.00 54.58 52.01 2wmj n ASN 591 Cb 0.52 -0.38 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 2wmj n ASN 591 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wmj s ASN 592 N 1.08 6.68 -1.40 1.20 -0.87 -1.26 -3.03 114.94 117.34 2wmj s ASN 592 Ca 0.00 2.75 -0.03 0.00 -1.57 0.00 0.00 52.86 54.01 2wmj s ASN 592 Cb 0.00 -2.65 0.02 0.00 -0.02 0.00 0.00 41.25 38.60 2wmj s ASN 592 CO 0.00 -0.61 0.29 0.61 -2.57 0.00 0.00 177.10 174.82 2wmj n GLY 593 N 0.88 -0.50 2.33 0.66 0.00 -1.26 -2.22 105.19 105.07 2wmj n GLY 593 Ca 0.01 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wmj n GLY 593 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wmj n SER 594 N -2.17 -4.36 -0.21 1.61 7.64 -1.17 -4.93 113.62 110.02 2wmj n SER 594 Ca -0.13 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2wmj n SER 594 Cb 0.61 -3.21 0.12 0.00 -1.01 0.00 0.00 64.21 60.72 2wmj n SER 594 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wmj h ALA 595 N 0.23 0.84 -0.38 -0.43 0.00 -1.59 0.40 119.26 118.33 2wmj h ALA 595 Ca -0.28 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2wmj h ALA 595 Cb 0.99 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2wmj h ALA 595 CO 0.38 -0.15 -0.34 0.82 0.00 0.00 0.00 179.25 179.95 2wmj h ILE 596 N 0.46 1.28 -0.07 0.00 1.08 -1.87 -0.82 117.51 117.57 2wmj h ILE 596 Ca 0.32 -1.51 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2wmj h ILE 596 Cb 0.38 1.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2wmj h ILE 596 CO -0.29 0.50 0.02 -0.33 -0.69 0.00 0.00 178.15 177.36 2wmj h GLU 597 N 0.72 0.10 -0.79 2.37 5.08 -1.80 -3.09 114.58 117.18 2wmj h GLU 597 Ca 0.07 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2wmj h GLU 597 Cb 0.91 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2wmj h GLU 597 CO 0.08 0.26 0.49 0.87 -1.00 0.00 0.00 179.01 179.71 2wmj h LYS 598 N -0.08 0.89 -0.97 2.33 1.57 -0.86 -2.40 116.57 117.05 2wmj h LYS 598 Ca 0.02 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.00 2wmj h LYS 598 Cb 0.20 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2wmj h LYS 598 CO -0.00 0.59 0.66 0.00 -0.57 0.00 0.00 179.45 180.12 2wmj h ALA 599 N 1.37 2.46 -0.06 3.86 0.00 -1.06 0.10 119.26 125.92 2wmj h ALA 599 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wmj h ALA 599 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wmj h ALA 599 CO -0.15 -0.78 0.00 1.19 0.00 0.00 0.00 179.25 179.51 2wmj n PHE 600 N -4.45 0.04 0.00 0.00 3.72 -0.98 -4.10 117.46 111.68 2wmj n PHE 600 Ca 0.22 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2wmj n PHE 600 Cb 0.87 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 2wmj n PHE 600 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wmj n GLY 601 N 1.35 1.22 0.34 1.37 0.00 0.02 -4.48 105.19 105.01 2wmj n GLY 601 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2wmj n GLY 601 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wmj h LYS 602 N 0.00 0.00 -0.64 1.61 3.64 -1.56 -0.39 116.57 119.23 2wmj h LYS 602 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wmj h LYS 602 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wmj h LYS 602 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 2wmj n ASN 603 N -5.58 4.13 0.00 4.20 3.02 -1.26 -4.90 115.26 114.86 2wmj n ASN 603 Ca 0.15 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 2wmj n ASN 603 Cb 0.49 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2wmj n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wmj n GLY 604 N 0.81 0.39 3.43 7.41 0.00 -0.16 -5.04 105.19 112.04 2wmj n GLY 604 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2wmj n GLY 604 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmj s LYS 605 N -0.92 3.12 0.00 1.61 3.01 -1.25 -4.89 119.74 120.41 2wmj s LYS 605 Ca 0.00 -1.02 0.13 0.00 -1.01 0.00 0.00 55.97 54.07 2wmj s LYS 605 Cb 0.00 -4.28 0.33 0.00 -1.01 0.00 0.00 37.83 32.88 2wmj s LYS 605 CO 0.00 -1.74 1.25 0.44 0.51 0.00 0.00 175.35 175.81 2wmj n ILE 606 N 5.79 0.82 -0.28 2.17 -5.35 -1.26 -3.51 119.36 117.74 2wmj n ILE 606 Ca -0.04 -0.91 -0.02 0.00 -0.27 0.00 0.00 62.75 61.51 2wmj n ILE 606 Cb 0.45 0.64 0.10 0.00 -1.74 0.00 0.00 39.64 39.08 2wmj n ILE 606 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wmj h ALA 607 N 2.57 1.03 -0.02 -1.28 0.00 -1.90 -2.02 119.26 117.64 2wmj h ALA 607 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2wmj h ALA 607 Cb 0.75 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wmj h ALA 607 CO 0.00 0.30 -0.98 0.35 0.00 0.00 0.00 179.25 178.92 2wmj h PHE 608 N 0.96 0.91 -0.64 0.00 3.57 -1.80 -1.22 116.94 118.72 2wmj h PHE 608 Ca 0.31 -0.48 0.12 0.00 3.53 0.00 0.00 57.97 61.45 2wmj h PHE 608 Cb 0.03 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.57 2wmj h PHE 608 CO -0.03 1.31 0.19 0.37 -2.23 0.00 0.00 178.31 177.92 2wmj h GLN 609 N 0.36 0.32 -0.02 1.11 4.15 -1.66 -0.34 115.11 119.03 2wmj h GLN 609 Ca -0.10 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.14 2wmj h GLN 609 Cb 1.62 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.22 2wmj h GLN 609 CO 0.19 0.21 -0.68 0.87 -1.93 0.00 0.00 178.83 177.49 2wmj h LYS 610 N 0.33 0.12 -0.25 1.69 1.57 -1.26 -2.34 116.57 116.43 2wmj h LYS 610 Ca 0.34 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2wmj h LYS 610 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2wmj h LYS 610 CO -0.39 0.75 -0.02 1.03 -0.57 0.00 0.00 179.45 180.25 2wmj h SER 611 N 0.08 0.46 -0.81 0.86 0.87 -0.67 -3.06 113.55 111.29 2wmj h SER 611 Ca -0.01 -0.33 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2wmj h SER 611 Cb 1.21 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2wmj h SER 611 CO 0.10 0.68 0.53 0.58 -0.53 0.00 0.00 176.83 178.19 2wmj h VAL 612 N 0.23 1.17 -1.10 2.23 2.07 -0.97 0.21 116.25 120.09 2wmj h VAL 612 Ca 0.07 -0.36 0.30 0.00 0.82 0.00 0.00 66.70 67.53 2wmj h VAL 612 Cb 0.46 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 2wmj h VAL 612 CO 0.02 0.19 0.72 0.44 0.02 0.00 0.00 177.57 178.97 2wmj h ASP 613 N 1.06 0.33 0.04 0.57 3.32 -1.31 -0.83 116.42 119.60 2wmj h ASP 613 Ca 0.31 0.07 -0.38 0.00 0.02 0.00 0.00 57.03 57.06 2wmj h ASP 613 Cb -0.07 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 2wmj h ASP 613 CO -0.09 0.04 -2.36 1.17 -1.72 0.00 0.00 179.24 176.29 2wmj n LYS 614 N -4.54 0.67 -0.11 3.56 4.81 -0.77 -4.74 118.16 117.04 2wmj n LYS 614 Ca 0.27 0.12 0.07 0.00 -0.87 0.00 0.00 58.31 57.90 2wmj n LYS 614 Cb 1.01 -1.56 0.10 0.00 0.02 0.00 0.00 35.03 34.61 2wmj n LYS 614 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wmj n TYR 615 N -3.11 0.00 -0.06 5.64 4.01 0.68 -4.82 117.16 119.50 2wmj n TYR 615 Ca -0.39 -0.79 0.23 0.00 -0.16 0.00 0.00 57.90 56.80 2wmj n TYR 615 Cb 1.05 -0.12 0.70 0.00 -0.31 0.00 0.00 39.34 40.66 2wmj n TYR 615 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 2wmj h TRP 616 N 0.00 0.00 0.00 -0.72 5.08 -1.37 -1.04 115.95 117.91 2wmj h TRP 616 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wmj h TRP 616 Cb 0.98 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 2wmj h TRP 616 CO 0.01 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 178.80 2wmj n LYS 617 N -4.34 0.07 -0.31 0.12 5.02 -1.26 -1.64 118.16 115.82 2wmj n LYS 617 Ca 0.13 0.40 0.07 0.00 -2.02 0.00 0.00 58.31 56.89 2wmj n LYS 617 Cb 0.73 -1.66 0.21 0.00 -0.02 0.00 0.00 35.03 34.29 2wmj n LYS 617 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wmj n ASN 618 N -1.80 3.46 -4.59 4.39 3.02 -0.39 -4.75 115.26 114.59 2wmj n ASN 618 Ca 0.02 -2.35 -0.34 0.00 -0.03 0.00 0.00 54.58 51.88 2wmj n ASN 618 Cb 0.14 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.83 2wmj n ASN 618 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wmj s LEU 619 N -1.63 3.41 -0.11 3.41 2.96 -0.65 -0.83 118.68 125.24 2wmj s LEU 619 Ca 0.33 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 2wmj s LEU 619 Cb 0.21 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2wmj s LEU 619 CO 0.15 0.28 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.60 2wmj s ILE 620 N -0.30 2.10 -0.13 6.68 -1.09 -0.18 -0.98 121.20 127.30 2wmj s ILE 620 Ca 0.06 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 2wmj s ILE 620 Cb -0.12 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 2wmj s ILE 620 CO 0.02 0.56 -0.21 0.12 -1.23 0.00 0.00 174.94 174.20 2wmj s PHE 621 N 0.47 2.66 0.10 3.97 5.99 -1.13 -1.21 117.98 128.83 2wmj s PHE 621 Ca -0.15 -1.18 0.08 0.00 0.00 0.00 0.00 56.93 55.67 2wmj s PHE 621 Cb -0.17 -1.80 -0.03 0.00 0.00 0.00 0.00 43.02 41.01 2wmj s PHE 621 CO 0.06 -0.52 -0.19 -1.64 -0.00 0.00 0.00 175.22 172.93 2wmj s MET 622 N 0.66 1.06 0.82 10.12 -1.94 0.03 -2.10 119.30 127.95 2wmj s MET 622 Ca -0.10 -1.12 -0.12 0.00 -1.71 0.00 0.00 55.69 52.64 2wmj s MET 622 Cb -0.16 -1.26 0.08 0.00 2.01 0.00 0.00 34.83 35.50 2wmj s MET 622 CO 0.02 0.29 1.10 -0.59 -0.01 0.00 0.00 175.02 175.83 2wmj s PHE 623 N -1.19 2.73 -0.27 -0.03 -0.12 -0.76 -1.19 117.98 117.15 2wmj s PHE 623 Ca 0.05 1.15 -0.04 0.00 -0.05 0.00 0.00 56.93 58.03 2wmj s PHE 623 Cb -0.10 -3.14 0.09 0.00 -0.63 0.00 0.00 43.02 39.24 2wmj s PHE 623 CO 0.04 -1.90 0.13 0.21 -0.05 0.00 0.00 175.22 173.64 2wmj s LYS 624 N -5.13 0.17 0.00 1.99 2.20 -1.17 -0.50 119.74 117.30 2wmj s LYS 624 Ca 0.61 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.87 2wmj s LYS 624 Cb -0.15 -1.26 0.32 0.00 -1.51 0.00 0.00 37.83 35.23 2wmj s LYS 624 CO 0.55 -0.96 1.23 0.27 -0.36 0.00 0.00 175.35 176.08 2wmj n ASN 625 N 5.26 0.85 -0.36 1.43 0.23 -0.82 -4.34 115.26 117.51 2wmj n ASN 625 Ca -0.06 -1.90 0.03 0.00 -0.53 0.00 0.00 54.58 52.11 2wmj n ASN 625 Cb 0.43 -0.10 0.09 0.00 -2.08 0.00 0.00 39.78 38.13 2wmj n ASN 625 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2wmj n THR 626 N -0.08 -0.46 -1.43 5.53 -1.04 -1.26 -3.60 114.28 111.94 2wmj n THR 626 Ca 0.08 2.26 -0.39 0.00 -2.04 0.00 0.00 64.05 63.95 2wmj n THR 626 Cb 0.15 -3.06 -0.03 0.00 -1.82 0.00 0.00 70.33 65.57 2wmj n THR 626 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wmj n PRO 627 N -5.52 3.81 0.23 -2.82 -0.04 -1.26 -4.31 135.00 125.10 2wmj n PRO 627 Ca 0.13 -2.41 0.08 0.00 -0.04 0.00 0.00 63.50 61.26 2wmj n PRO 627 Cb 0.44 -2.79 0.57 0.00 -0.04 0.00 0.00 33.50 31.68 2wmj n PRO 627 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wmj h ALA 628 N 4.98 1.52 0.00 0.55 0.00 -1.86 -2.12 119.26 122.33 2wmj h ALA 628 Ca 0.84 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 2wmj h ALA 628 Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wmj h ALA 628 CO 1.75 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 181.11 2wmj h ALA 629 N 1.82 1.35 -0.01 0.00 0.00 -1.84 -2.46 119.26 118.12 2wmj h ALA 629 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wmj h ALA 629 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wmj h ALA 629 CO 0.02 0.14 -0.19 0.39 0.00 0.00 0.00 179.25 179.61 2wmj n GLU 630 N -3.72 0.90 -2.16 0.00 4.71 -0.80 -4.92 120.64 114.65 2wmj n GLU 630 Ca -0.02 -0.48 -0.16 0.00 -0.01 0.00 0.00 57.16 56.49 2wmj n GLU 630 Cb 0.22 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.14 2wmj n GLU 630 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wmj n GLY 631 N 1.30 0.03 1.74 0.62 0.00 -0.93 -4.76 105.19 103.19 2wmj n GLY 631 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2wmj n GLY 631 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmj n ASN 632 N -0.95 4.83 0.17 1.61 5.03 -1.26 -3.71 115.26 120.97 2wmj n ASN 632 Ca -0.18 -2.88 -0.14 0.00 0.87 0.00 0.00 54.58 52.25 2wmj n ASN 632 Cb 0.62 -0.68 -0.07 0.00 -1.02 0.00 0.00 39.78 38.63 2wmj n ASN 632 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2wmj h ASP 633 N 3.01 -0.47 -0.26 6.41 3.45 -1.90 -2.00 116.42 124.66 2wmj h ASP 633 Ca 0.08 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 2wmj h ASP 633 Cb 1.89 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 40.80 2wmj h ASP 633 CO 0.50 -0.29 0.06 0.77 -1.57 0.00 0.00 179.24 178.72 2wmj h SER 634 N -0.44 0.39 -0.41 6.45 4.64 -1.86 -1.15 113.55 121.17 2wmj h SER 634 Ca -0.02 -0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 60.94 2wmj h SER 634 Cb 0.38 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2wmj h SER 634 CO 0.00 0.51 -0.26 0.71 -0.87 0.00 0.00 176.83 176.92 2wmj h THR 635 N 0.24 1.27 -0.21 2.95 1.35 -1.88 -1.23 112.91 115.41 2wmj h THR 635 Ca 0.08 -1.42 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 2wmj h THR 635 Cb 0.28 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2wmj h THR 635 CO 0.00 0.48 0.04 0.74 -0.25 0.00 0.00 175.52 176.54 2wmj h THR 636 N 0.80 1.22 -0.64 6.82 2.02 -1.23 -2.02 112.91 119.87 2wmj h THR 636 Ca 0.09 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 2wmj h THR 636 Cb 0.83 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2wmj h THR 636 CO 0.07 0.22 0.24 -0.08 0.37 0.00 0.00 175.52 176.34 2wmj h GLU 637 N 0.15 0.95 -0.45 6.66 4.81 -1.16 -1.00 114.58 124.54 2wmj h GLU 637 Ca 0.06 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2wmj h GLU 637 Cb 0.29 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2wmj h GLU 637 CO 0.00 0.79 0.15 1.03 -0.73 0.00 0.00 179.01 180.24 2wmj h SER 638 N 0.93 0.13 -0.35 1.04 0.87 -1.10 -1.23 113.55 113.84 2wmj h SER 638 Ca 0.22 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2wmj h SER 638 Cb 0.20 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wmj h SER 638 CO -0.02 0.11 0.02 1.88 -0.53 0.00 0.00 176.83 178.29 2wmj h TYR 639 N 0.31 0.66 -0.50 2.24 0.05 -0.87 -1.07 116.97 117.79 2wmj h TYR 639 Ca 0.21 -0.11 0.08 0.00 0.05 0.00 0.00 58.73 58.97 2wmj h TYR 639 Cb 0.23 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.73 2wmj h TYR 639 CO -0.17 0.70 0.14 0.52 -1.05 0.00 0.00 178.16 178.30 2wmj h MET 640 N 0.43 0.28 -0.14 4.88 2.86 -0.82 0.29 114.93 122.71 2wmj h MET 640 Ca 0.10 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2wmj h MET 640 Cb 0.43 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2wmj h MET 640 CO 0.01 0.19 0.04 -0.22 1.06 0.00 0.00 176.91 177.99 2wmj h LYS 641 N 0.29 0.22 -0.70 1.72 3.64 -1.16 -2.60 116.57 117.98 2wmj h LYS 641 Ca 0.25 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2wmj h LYS 641 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2wmj h LYS 641 CO -0.29 0.36 0.30 0.78 -2.27 0.00 0.00 179.45 178.33 2wmj h GLY 642 N 0.03 1.11 0.76 5.01 0.00 -0.77 -1.54 103.07 107.67 2wmj h GLY 642 Ca 0.04 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 46.84 2wmj h GLY 642 CO -0.00 0.55 0.49 1.41 0.00 0.00 0.00 176.54 178.99 2wmj h LEU 643 N 0.99 0.78 -0.08 3.11 3.38 -0.45 -1.73 115.31 121.31 2wmj h LEU 643 Ca 0.24 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2wmj h LEU 643 Cb 0.18 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wmj h LEU 643 CO -0.02 0.51 0.04 -0.25 0.09 0.00 0.00 178.44 178.80 2wmj h TRP 644 N 0.91 0.11 0.00 1.13 7.01 -1.05 0.35 115.95 124.42 2wmj h TRP 644 Ca 0.34 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.29 2wmj h TRP 644 Cb 0.13 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2wmj h TRP 644 CO -0.04 0.19 -0.24 -0.07 -2.79 0.00 0.00 178.44 175.49 2wmj h LEU 645 N 0.01 0.00 -3.16 0.65 3.38 -1.02 -2.09 115.31 113.08 2wmj h LEU 645 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wmj h LEU 645 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wmj h LEU 645 CO -0.00 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 2wmj n SER 646 N -3.79 4.88 -2.50 -0.43 3.41 -0.67 -4.96 113.62 109.56 2wmj n SER 646 Ca -0.02 -2.46 -0.17 0.00 -0.26 0.00 0.00 58.87 55.96 2wmj n SER 646 Cb 0.34 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2wmj n SER 646 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wmj n ASN 647 N 1.17 -5.06 -0.83 4.04 3.02 -0.79 -4.91 115.26 111.89 2wmj n ASN 647 Ca 0.26 -0.29 0.10 0.00 -0.03 0.00 0.00 54.58 54.62 2wmj n ASN 647 Cb 0.92 -3.80 0.09 0.00 -0.61 0.00 0.00 39.78 36.37 2wmj n ASN 647 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wmj n HIS 648 N -4.25 0.02 -3.61 3.10 8.25 0.12 -4.87 115.22 113.97 2wmj n HIS 648 Ca -0.04 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 2wmj n HIS 648 Cb 0.57 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.61 2wmj n HIS 648 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wmj s THR 649 N -1.70 0.01 0.09 1.59 -1.32 -1.16 -4.90 115.64 108.25 2wmj s THR 649 Ca 0.25 -0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.49 2wmj s THR 649 Cb 0.17 -0.90 -0.07 0.00 -1.51 0.00 0.00 72.50 70.19 2wmj s THR 649 CO 0.26 -0.03 1.50 0.22 -2.21 0.00 0.00 174.62 174.36 2wmj h TYR 650 N 4.01 0.61 -3.76 9.09 3.20 -0.42 -3.40 116.97 126.29 2wmj h TYR 650 Ca -0.28 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.38 2wmj h TYR 650 Cb 1.16 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 2wmj h TYR 650 CO 0.40 0.72 -0.17 -0.65 -1.64 0.00 0.00 178.16 176.83 2wmj s GLN 651 N -4.84 1.54 0.26 1.82 -1.52 -1.23 -5.04 119.66 110.64 2wmj s GLN 651 Ca -0.13 -1.32 0.01 0.00 -1.95 0.00 0.00 55.36 51.97 2wmj s GLN 651 Cb 0.08 0.45 -0.05 0.00 -0.22 0.00 0.00 33.01 33.28 2wmj s GLN 651 CO 0.77 -0.63 0.12 1.67 -0.25 0.00 0.00 175.29 176.97 2wmj s TRP 652 N -3.97 1.48 0.00 0.91 1.48 -1.26 -2.85 118.94 114.73 2wmj s TRP 652 Ca 0.24 -1.26 0.00 0.00 -1.06 0.00 0.00 56.10 54.03 2wmj s TRP 652 Cb 0.00 -0.82 0.00 0.00 -1.16 0.00 0.00 33.47 31.49 2wmj s TRP 652 CO 0.10 -0.43 0.00 0.41 -4.06 0.00 0.00 176.95 172.97 2wmj n GLY 653 N -0.45 2.04 3.38 3.67 0.00 -0.89 -1.79 105.19 111.15 2wmj n GLY 653 Ca 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 2wmj n GLY 653 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmj s GLY 654 N -0.28 -0.36 -0.28 -0.02 0.00 -0.89 -1.82 107.32 103.67 2wmj s GLY 654 Ca 0.00 1.24 -0.11 0.00 0.00 0.00 0.00 44.72 45.85 2wmj s GLY 654 CO 0.00 1.03 0.18 -2.27 0.00 0.00 0.00 173.10 172.04 2wmj s LEU 655 N -0.08 3.99 -0.19 0.66 0.20 0.34 -2.22 118.68 121.37 2wmj s LEU 655 Ca -0.03 -0.05 -0.06 0.00 0.69 0.00 0.00 54.13 54.68 2wmj s LEU 655 Cb -0.03 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2wmj s LEU 655 CO 0.02 -0.06 0.04 -0.04 -0.29 0.00 0.00 176.35 176.02 2wmj s MET 656 N 1.75 3.80 -0.15 1.98 -1.94 -0.24 -1.94 119.30 122.57 2wmj s MET 656 Ca 0.07 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2wmj s MET 656 Cb -0.16 -3.15 0.03 0.00 2.01 0.00 0.00 34.83 33.55 2wmj s MET 656 CO 0.10 0.15 -0.11 0.34 -0.01 0.00 0.00 175.02 175.48 2wmj s ASP 657 N 0.69 2.68 0.08 3.03 -1.08 -1.26 -1.90 116.67 118.92 2wmj s ASP 657 Ca 0.02 -0.52 0.18 0.00 -0.52 0.00 0.00 52.55 51.71 2wmj s ASP 657 Cb -0.14 -1.09 0.74 0.00 -1.46 0.00 0.00 42.92 40.97 2wmj s ASP 657 CO 0.02 -0.09 1.55 0.35 0.52 0.00 0.00 175.17 177.51 2wmj n THR 658 N 4.81 0.93 0.15 1.71 -2.24 0.47 -2.06 114.28 118.05 2wmj n THR 658 Ca -0.15 0.24 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2wmj n THR 658 Cb 0.49 -1.04 0.09 0.00 -2.10 0.00 0.00 70.33 67.78 2wmj n THR 658 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wmj n TRP 659 N -1.73 0.00 0.26 4.78 7.02 -1.26 -2.58 117.44 123.93 2wmj n TRP 659 Ca 0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.60 2wmj n TRP 659 Cb 0.19 -0.49 0.67 0.00 -2.42 0.00 0.00 31.31 29.26 2wmj n TRP 659 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2wmj h LYS 660 N 0.00 0.00 -0.36 -0.99 2.10 -1.60 -1.11 116.57 114.60 2wmj h LYS 660 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2wmj h LYS 660 Cb 0.07 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2wmj h LYS 660 CO 0.00 0.02 -0.15 2.35 -2.00 0.00 0.00 179.45 179.67 2wmj h TRP 661 N 0.00 0.72 -0.02 0.07 2.91 -1.77 -1.89 115.95 115.97 2wmj h TRP 661 Ca -0.00 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 59.86 2wmj h TRP 661 Cb 0.03 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 2wmj h TRP 661 CO 0.00 0.76 -0.08 -0.92 -1.03 0.00 0.00 178.44 177.18 2wmj h TYR 662 N 0.59 0.12 -0.59 2.65 3.20 -1.66 -0.86 116.97 120.42 2wmj h TYR 662 Ca 0.10 -0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.03 2wmj h TYR 662 Cb 0.59 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2wmj h TYR 662 CO 0.03 0.72 0.40 0.93 -1.64 0.00 0.00 178.16 178.59 2wmj h GLU 663 N -0.51 0.34 -0.02 1.82 4.39 -1.02 -1.67 114.58 117.91 2wmj h GLU 663 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wmj h GLU 663 Cb 0.72 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2wmj h GLU 663 CO 0.02 0.22 -0.08 0.25 -1.16 0.00 0.00 179.01 178.26 2wmj n THR 664 N -4.46 0.00 -1.00 1.13 -2.24 -0.73 -4.39 114.28 102.59 2wmj n THR 664 Ca 0.10 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2wmj n THR 664 Cb 0.41 1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2wmj n THR 664 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wmj n GLY 665 N 1.32 0.39 3.84 3.38 0.00 -0.63 -4.83 105.19 108.67 2wmj n GLY 665 Ca 0.14 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2wmj n GLY 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmj s LYS 666 N -1.90 3.76 0.00 1.61 1.02 -0.35 -0.86 119.74 123.01 2wmj s LYS 666 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 55.97 56.94 2wmj s LYS 666 Cb 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2wmj s LYS 666 CO 0.00 -0.43 0.00 -2.67 -0.92 0.00 0.00 175.35 171.33 2wmj n TRP 667 N -1.92 0.00 -1.68 3.18 4.27 -1.26 -4.68 117.44 115.35 2wmj n TRP 667 Ca 0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 2wmj n TRP 667 Cb 0.54 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.49 2wmj n TRP 667 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2wmj n LYS 668 N 0.00 1.82 -1.68 -2.67 4.81 -1.26 -4.82 118.16 114.36 2wmj n LYS 668 Ca 0.00 0.65 -0.45 0.00 -0.87 0.00 0.00 58.31 57.64 2wmj n LYS 668 Cb 0.00 -2.27 -0.04 0.00 0.02 0.00 0.00 35.03 32.74 2wmj n LYS 668 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wmj n LEU 669 N 0.44 3.39 0.00 3.14 7.94 -1.26 -2.14 117.00 128.51 2wmj n LEU 669 Ca 0.07 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 2wmj n LEU 669 Cb 0.38 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.87 2wmj n LEU 669 CO 0.59 -0.13 0.00 0.49 -1.11 0.00 0.00 177.39 177.23 2wmj n PHE 670 N 4.07 0.00 -2.26 1.96 3.72 -1.26 -5.00 117.46 118.69 2wmj n PHE 670 Ca 0.17 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.20 2wmj n PHE 670 Cb 0.31 -0.59 -0.01 0.00 -0.94 0.00 0.00 39.48 38.25 2wmj n PHE 670 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wmj s ALA 671 N -2.28 3.00 0.67 4.37 0.00 -0.91 -4.93 121.76 121.67 2wmj s ALA 671 Ca 0.00 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 2wmj s ALA 671 Cb 0.00 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2wmj s ALA 671 CO 0.00 -0.65 0.99 -1.54 0.00 0.00 0.00 175.76 174.56 2wmj s SER 672 N -1.32 5.17 0.00 0.00 1.04 -1.26 -4.89 113.70 112.44 2wmj s SER 672 Ca 0.63 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.71 2wmj s SER 672 Cb -0.29 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2wmj s SER 672 CO 0.35 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2wmj n GLY 673 N -2.83 0.92 3.41 7.32 0.00 -1.26 -4.45 105.19 108.30 2wmj n GLY 673 Ca 0.07 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 2wmj n GLY 673 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmj s ASN 674 N -0.76 3.79 0.00 1.61 3.84 -1.26 -4.72 114.94 117.43 2wmj s ASN 674 Ca 0.00 -0.30 0.12 0.00 0.21 0.00 0.00 52.86 52.90 2wmj s ASN 674 Cb 0.00 -0.96 0.11 0.00 -0.55 0.00 0.00 41.25 39.85 2wmj s ASN 674 CO 0.00 0.29 0.91 2.30 -2.79 0.00 0.00 177.10 177.81 2wmj n ILE 675 N 2.67 0.06 -4.67 -5.21 -5.35 -0.04 -4.90 119.36 101.93 2wmj n ILE 675 Ca -0.17 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 2wmj n ILE 675 Cb 0.52 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 2wmj n ILE 675 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmj n GLY 676 N 0.69 1.01 2.81 3.28 0.00 -1.24 -3.96 105.19 107.79 2wmj n GLY 676 Ca 0.08 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2wmj n GLY 676 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wmj n LYS 677 N 0.00 4.67 0.00 1.61 5.02 -1.26 -4.20 118.16 124.00 2wmj n LYS 677 Ca 0.00 -4.32 0.00 0.00 -2.02 0.00 0.00 58.31 51.97 2wmj n LYS 677 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 2wmj n LYS 677 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wmj n SER 678 N 1.32 2.65 -2.67 4.39 3.41 -1.25 -4.77 113.62 116.68 2wmj n SER 678 Ca 0.38 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 2wmj n SER 678 Cb 0.30 1.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.28 2wmj n SER 678 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmj n GLN 679 N -1.26 1.43 -0.34 4.33 1.13 -1.26 -4.98 117.38 116.42 2wmj n GLN 679 Ca 0.00 -3.39 -0.02 0.00 -1.94 0.00 0.00 57.00 51.65 2wmj n GLN 679 Cb 0.00 -1.38 0.03 0.00 0.11 0.00 0.00 30.24 28.99 2wmj n GLN 679 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wmj n GLY 680 N -0.19 -1.86 0.11 1.08 0.00 -1.26 -0.95 105.19 102.11 2wmj n GLY 680 Ca 0.11 1.00 -0.03 0.00 0.00 0.00 0.00 46.02 47.10 2wmj n GLY 680 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wmj h ASP 681 N 0.00 0.00 -0.19 1.61 3.32 -1.95 -0.29 116.42 118.92 2wmj h ASP 681 Ca 0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 2wmj h ASP 681 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2wmj h ASP 681 CO -0.88 0.74 -0.45 0.03 -1.72 0.00 0.00 179.24 176.96 2wmj h ARG 682 N 0.00 0.75 -0.32 3.56 3.08 -1.75 -3.34 114.38 116.37 2wmj h ARG 682 Ca -0.01 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.54 2wmj h ARG 682 Cb 1.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 2wmj h ARG 682 CO 0.10 1.05 -0.10 1.96 -1.07 0.00 0.00 179.97 181.90 2wmj h GLN 683 N 0.60 0.63 0.00 0.04 4.20 0.06 -3.00 115.11 117.64 2wmj h GLN 683 Ca 0.04 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2wmj h GLN 683 Cb 1.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2wmj h GLN 683 CO 0.10 0.82 0.00 -2.67 -0.67 0.00 0.00 178.83 176.41 2wmj n TRP 684 N -4.43 0.36 0.53 2.96 4.27 -0.23 -2.13 117.44 118.77 2wmj n TRP 684 Ca -0.03 0.14 0.12 0.00 -3.89 0.00 0.00 57.50 53.85 2wmj n TRP 684 Cb 0.34 -0.72 0.27 0.00 -1.36 0.00 0.00 31.31 29.84 2wmj n TRP 684 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2wmj h LEU 685 N 0.00 0.00 0.00 5.67 3.38 -1.64 -3.42 115.31 119.31 2wmj h LEU 685 Ca 0.00 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2wmj h LEU 685 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2wmj h LEU 685 CO 0.00 0.04 -1.44 0.41 0.09 0.00 0.00 178.44 177.54 2wmj n THR 686 N -2.32 1.20 -1.65 0.22 -1.04 -0.90 -4.89 114.28 104.89 2wmj n THR 686 Ca 0.04 -0.70 -0.48 0.00 -2.04 0.00 0.00 64.05 60.87 2wmj n THR 686 Cb 0.45 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 2wmj n THR 686 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2wmj n GLU 687 N -2.89 1.84 -1.57 -2.82 2.13 -1.26 -4.86 120.64 111.21 2wmj n GLU 687 Ca -0.10 0.66 -0.54 0.00 0.66 0.00 0.00 57.16 57.85 2wmj n GLU 687 Cb 0.85 -2.41 -0.06 0.00 0.27 0.00 0.00 31.44 30.09 2wmj n GLU 687 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2wmj n PRO 688 N 3.72 0.84 -0.12 5.31 -0.02 -1.26 -4.89 135.00 138.57 2wmj n PRO 688 Ca 0.19 0.30 -0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2wmj n PRO 688 Cb 0.25 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2wmj n PRO 688 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wmj h GLU 689 N 4.13 0.01 0.00 -0.52 3.07 -1.89 -1.57 114.58 117.80 2wmj h GLU 689 Ca -0.49 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 2wmj h GLU 689 Cb 1.36 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2wmj h GLU 689 CO 0.74 0.01 -0.06 0.66 -1.40 0.00 0.00 179.01 178.96 2wmj h SER 690 N 0.01 0.00 -0.12 1.42 4.64 -1.40 -2.77 113.55 115.33 2wmj h SER 690 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2wmj h SER 690 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2wmj h SER 690 CO -0.41 0.06 -0.07 -0.03 -0.87 0.00 0.00 176.83 175.51 2wmj h MET 691 N 0.00 0.41 -0.88 4.77 -1.53 -1.57 -2.09 114.93 114.04 2wmj h MET 691 Ca -0.00 -0.09 0.09 0.00 -3.44 0.00 0.00 59.70 56.25 2wmj h MET 691 Cb 0.24 -0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.17 2wmj h MET 691 CO 0.01 0.50 0.57 -0.07 0.14 0.00 0.00 176.91 178.05 2wmj h LEU 692 N 0.39 0.82 -0.91 3.39 -0.00 -1.57 -1.03 115.31 116.40 2wmj h LEU 692 Ca 0.08 0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.89 2wmj h LEU 692 Cb 0.37 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2wmj h LEU 692 CO 0.02 0.50 -0.10 1.23 -0.00 0.00 0.00 178.44 180.08 2wmj h GLY 693 N 0.91 0.74 1.03 0.83 0.00 -1.53 0.05 103.07 105.11 2wmj h GLY 693 Ca 0.40 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2wmj h GLY 693 CO -0.16 0.50 0.23 0.83 0.00 0.00 0.00 176.54 177.93 2wmj h GLU 694 N 0.63 1.04 -0.33 4.80 5.08 -0.91 -2.26 114.58 122.63 2wmj h GLU 694 Ca 0.11 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wmj h GLU 694 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2wmj h GLU 694 CO 0.03 0.90 0.19 0.93 -1.00 0.00 0.00 179.01 180.06 2wmj h GLU 695 N 0.98 0.45 0.00 2.33 5.08 -1.02 -3.18 114.58 119.23 2wmj h GLU 695 Ca 0.22 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2wmj h GLU 695 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2wmj h GLU 695 CO -0.01 0.36 -0.20 0.00 -1.00 0.00 0.00 179.01 178.15 2wmj h ALA 696 N 1.07 1.33 -0.32 3.43 0.00 -0.82 -2.61 119.26 121.34 2wmj h ALA 696 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wmj h ALA 696 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wmj h ALA 696 CO -0.02 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 2wmj h LEU 697 N 0.00 0.45 -1.81 0.00 3.38 -1.38 -1.70 115.31 114.24 2wmj h LEU 697 Ca -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wmj h LEU 697 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2wmj h LEU 697 CO 0.03 0.52 0.03 1.23 0.09 0.00 0.00 178.44 180.34 2wmj h GLY 698 N 0.79 0.16 0.36 0.83 0.00 -1.55 0.27 103.07 103.93 2wmj h GLY 698 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2wmj h GLY 698 CO 0.01 0.06 -0.15 -2.08 0.00 0.00 0.00 176.54 174.38 2wmj h VAL 699 N 0.15 0.18 -0.06 4.60 2.07 -1.43 -3.31 116.25 118.44 2wmj h VAL 699 Ca 0.04 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2wmj h VAL 699 Cb 0.05 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 2wmj h VAL 699 CO -0.00 0.05 -0.37 0.22 0.02 0.00 0.00 177.57 177.49 2wmj h TYR 700 N -1.07 -1.03 0.00 1.57 3.20 -1.23 -0.16 116.97 118.25 2wmj h TYR 700 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wmj h TYR 700 Cb 0.40 0.46 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2wmj h TYR 700 CO 0.02 -0.45 0.00 -0.07 -1.64 0.00 0.00 178.16 176.02 2wmj h LEU 701 N -0.48 0.00 -3.07 2.82 3.38 -0.64 -2.21 115.31 115.11 2wmj h LEU 701 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wmj h LEU 701 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2wmj h LEU 701 CO -0.33 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.79 2wmj n ASN 702 N -2.40 3.12 0.00 -0.43 4.13 -0.88 -4.87 115.26 113.92 2wmj n ASN 702 Ca -0.01 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.66 2wmj n ASN 702 Cb 0.07 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2wmj n ASN 702 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wmj n GLY 703 N -0.34 0.75 3.82 7.41 0.00 -0.83 -4.98 105.19 111.02 2wmj n GLY 703 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2wmj n GLY 703 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmj s GLY 704 N -1.73 2.14 0.00 -0.02 0.00 -0.12 -4.80 107.32 102.78 2wmj s GLY 704 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2wmj s GLY 704 CO 0.00 0.64 0.12 3.33 0.00 0.00 0.00 173.10 177.19 2wmj n VAL 705 N -1.78 0.00 -5.15 1.40 0.24 -0.74 -4.10 118.33 108.20 2wmj n VAL 705 Ca 0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.06 2wmj n VAL 705 Cb 0.53 1.62 -0.16 0.00 -1.47 0.00 0.00 33.84 34.36 2wmj n VAL 705 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2wmj s VAL 706 N 0.00 2.24 -0.02 3.34 1.01 -1.15 -0.41 120.40 125.41 2wmj s VAL 706 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2wmj s VAL 706 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2wmj s VAL 706 CO 0.00 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.22 2wmj s TYR 707 N 0.21 1.17 0.04 5.22 2.02 0.10 -2.09 117.35 124.02 2wmj s TYR 707 Ca -0.14 -0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 2wmj s TYR 707 Cb -0.17 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2wmj s TYR 707 CO 0.07 -0.05 0.33 1.21 -1.57 0.00 0.00 175.55 175.54 2wmj s ASN 708 N -0.16 -0.17 0.02 2.29 3.84 -0.94 -1.10 114.94 118.72 2wmj s ASN 708 Ca 0.02 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 52.97 2wmj s ASN 708 Cb -0.06 0.37 -0.02 0.00 -0.55 0.00 0.00 41.25 40.99 2wmj s ASN 708 CO -0.00 -0.62 -0.04 -0.36 -2.79 0.00 0.00 177.10 173.30 2wmj s PHE 709 N -2.45 0.32 0.16 0.43 0.08 -1.26 -1.07 117.98 114.19 2wmj s PHE 709 Ca -0.06 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.54 2wmj s PHE 709 Cb -0.01 -0.22 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 2wmj s PHE 709 CO -0.03 -0.16 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.62 2wmj s GLU 710 N -1.41 1.12 0.13 0.44 2.02 -0.80 -4.40 118.70 115.80 2wmj s GLU 710 Ca -0.14 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.06 2wmj s GLU 710 Cb -0.10 -0.69 -0.07 0.00 0.10 0.00 0.00 34.13 33.38 2wmj s GLU 710 CO -0.01 0.07 1.10 -1.58 0.02 0.00 0.00 175.26 174.87 2wmj s HIS 711 N -3.29 3.58 0.42 1.61 2.46 -1.26 -0.40 115.29 118.42 2wmj s HIS 711 Ca 0.18 1.55 0.14 0.00 0.47 0.00 0.00 55.06 57.41 2wmj s HIS 711 Cb 0.02 -3.28 1.02 0.00 -0.13 0.00 0.00 32.58 30.21 2wmj s HIS 711 CO 0.02 -0.64 1.94 -1.35 -2.47 0.00 0.00 174.74 172.24 2wmj h PRO 712 N 5.72 0.43 -0.29 2.88 0.11 -1.96 -2.04 132.00 136.85 2wmj h PRO 712 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2wmj h PRO 712 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wmj h PRO 712 CO 0.75 0.28 -0.05 0.00 -0.21 0.00 0.00 178.00 178.77 2wmj h ALA 713 N 1.66 1.38 0.08 -0.75 0.00 -1.95 -0.71 119.26 118.97 2wmj h ALA 713 Ca 0.33 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2wmj h ALA 713 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wmj h ALA 713 CO -0.10 0.43 -1.51 -0.92 0.00 0.00 0.00 179.25 177.15 2wmj h TYR 714 N 0.44 0.33 0.00 0.00 3.20 -1.76 -3.03 116.97 116.15 2wmj h TYR 714 Ca 0.09 -0.24 -0.17 0.00 3.14 0.00 0.00 58.73 61.55 2wmj h TYR 714 Cb 0.37 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2wmj h TYR 714 CO 0.01 1.59 -0.81 1.79 -1.64 0.00 0.00 178.16 179.11 2wmj h THR 715 N -0.40 1.56 0.00 1.81 1.35 -1.36 -3.40 112.91 112.48 2wmj h THR 715 Ca -0.34 -2.72 -0.11 0.00 -0.55 0.00 0.00 66.41 62.69 2wmj h THR 715 Cb 1.70 2.47 -0.02 0.00 -1.73 0.00 0.00 68.15 70.58 2wmj h THR 715 CO -0.01 0.78 -1.21 -1.22 -0.25 0.00 0.00 175.52 173.61 2wmj n TYR 716 N -3.60 0.00 0.00 4.73 4.01 -0.31 -3.25 117.16 118.74 2wmj n TYR 716 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2wmj n TYR 716 Cb 0.77 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2wmj n TYR 716 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmj n GLY 717 N 2.58 1.01 3.18 2.72 0.00 -0.96 -0.96 105.19 112.76 2wmj n GLY 717 Ca -0.13 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 2wmj n GLY 717 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wmj s VAL 718 N -1.62 0.75 -1.53 1.61 -7.23 -1.13 -4.25 120.40 106.99 2wmj s VAL 718 Ca 0.00 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 2wmj s VAL 718 Cb 0.00 -1.70 0.09 0.00 0.56 0.00 0.00 36.38 35.33 2wmj s VAL 718 CO 0.00 -0.86 0.95 0.59 -0.31 0.00 0.00 175.10 175.47 2wmj n ASN 719 N -0.06 -4.79 -1.00 4.85 3.02 0.20 -1.03 115.26 116.46 2wmj n ASN 719 Ca -0.12 -0.76 -0.13 0.00 -0.03 0.00 0.00 54.58 53.54 2wmj n ASN 719 Cb 0.61 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 2wmj n ASN 719 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmj n ASN 720 N -2.79 -5.31 -4.58 6.41 3.02 -1.26 -4.86 115.26 105.88 2wmj n ASN 720 Ca 0.04 0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 2wmj n ASN 720 Cb 0.52 -3.95 -0.10 0.00 -0.61 0.00 0.00 39.78 35.64 2wmj n ASN 720 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wmj s LYS 721 N -3.03 2.44 0.11 3.52 1.02 -0.19 -4.83 119.74 118.78 2wmj s LYS 721 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 2wmj s LYS 721 Cb 0.00 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 2wmj s LYS 721 CO 0.00 0.58 1.23 -1.21 -0.92 0.00 0.00 175.35 175.03 2wmj s GLU 722 N -1.57 4.44 0.79 1.68 2.02 -1.26 -2.84 118.70 121.95 2wmj s GLU 722 Ca 0.18 1.85 -0.11 0.00 0.02 0.00 0.00 54.97 56.91 2wmj s GLU 722 Cb -0.11 -3.29 0.07 0.00 0.10 0.00 0.00 34.13 30.89 2wmj s GLU 722 CO 0.09 -0.22 1.10 -1.54 0.02 0.00 0.00 175.26 174.70 2wmj s SER 723 N 0.74 4.29 0.36 -0.19 1.04 -0.14 -4.83 113.70 114.97 2wmj s SER 723 Ca 0.58 1.90 0.06 0.00 0.48 0.00 0.00 55.95 58.96 2wmj s SER 723 Cb -0.32 -2.53 0.68 0.00 0.10 0.00 0.00 66.02 63.95 2wmj s SER 723 CO 0.32 -2.18 1.89 -0.07 0.98 0.00 0.00 173.24 174.18 2wmj h LEU 724 N -1.16 0.39 -0.29 2.42 3.38 -1.87 0.83 115.31 119.00 2wmj h LEU 724 Ca -0.44 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.48 2wmj h LEU 724 Cb 1.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2wmj h LEU 724 CO 0.50 0.49 0.15 0.25 0.09 0.00 0.00 178.44 179.92 2wmj h LEU 725 N 0.40 0.24 -0.01 1.67 6.46 -1.88 0.27 115.31 122.45 2wmj h LEU 725 Ca 0.08 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2wmj h LEU 725 Cb 0.34 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2wmj h LEU 725 CO 0.01 0.18 0.01 0.15 -0.62 0.00 0.00 178.44 178.17 2wmj h PHE 726 N 0.32 0.02 -0.14 1.25 3.57 -1.38 -1.60 116.94 118.98 2wmj h PHE 726 Ca 0.12 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.42 2wmj h PHE 726 Cb 0.03 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2wmj h PHE 726 CO -0.09 0.10 -0.72 0.66 -2.23 0.00 0.00 178.31 176.03 2wmj h SER 727 N -0.07 0.73 0.67 0.41 4.64 -0.69 0.16 113.55 119.39 2wmj h SER 727 Ca 0.00 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2wmj h SER 727 Cb 0.09 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2wmj h SER 727 CO -0.00 1.23 -1.37 -0.62 -0.87 0.00 0.00 176.83 175.20 2wmj n GLU 728 N -3.90 0.62 0.01 4.77 -0.58 0.07 -4.13 120.64 117.50 2wmj n GLU 728 Ca -0.05 0.07 -0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2wmj n GLU 728 Cb 0.71 -1.74 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2wmj n GLU 728 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wmj n VAL 729 N -2.63 0.18 -0.11 2.62 0.31 -0.66 -4.52 118.33 113.51 2wmj n VAL 729 Ca -0.04 0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 2wmj n VAL 729 Cb 0.64 -1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 32.43 2wmj n VAL 729 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wmj h ILE 730 N -0.01 1.14 -0.49 2.52 2.04 -1.14 0.77 117.51 122.34 2wmj h ILE 730 Ca 0.00 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2wmj h ILE 730 Cb 0.01 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2wmj h ILE 730 CO 0.00 0.15 -0.02 0.50 0.00 0.00 0.00 178.15 178.78 2wmj h LYS 731 N 0.43 0.87 -0.68 2.37 3.64 -0.91 0.17 116.57 122.46 2wmj h LYS 731 Ca 0.12 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2wmj h LYS 731 Cb 0.07 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2wmj h LYS 731 CO -0.02 0.92 0.39 0.93 -2.27 0.00 0.00 179.45 179.40 2wmj h GLU 732 N 0.73 0.93 -0.03 1.90 4.39 -1.62 -0.98 114.58 119.90 2wmj h GLU 732 Ca 0.14 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2wmj h GLU 732 Cb 0.54 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2wmj h GLU 732 CO 0.03 0.69 0.00 0.35 -1.16 0.00 0.00 179.01 178.92 2wmj h PHE 733 N 0.92 0.05 -0.71 4.33 3.57 -0.53 -2.19 116.94 122.38 2wmj h PHE 733 Ca 0.24 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2wmj h PHE 733 Cb 0.01 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2wmj h PHE 733 CO -0.01 0.33 0.28 0.35 -2.23 0.00 0.00 178.31 177.03 2wmj h PHE 734 N -0.24 1.06 -0.75 0.41 3.57 -0.61 -1.10 116.94 119.28 2wmj h PHE 734 Ca 0.01 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2wmj h PHE 734 Cb 0.31 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2wmj h PHE 734 CO 0.03 0.81 0.50 0.00 -2.23 0.00 0.00 178.31 177.41 2wmj h ARG 735 N 1.03 0.94 -0.58 1.11 3.08 -1.18 -1.98 114.38 116.80 2wmj h ARG 735 Ca 0.24 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2wmj h ARG 735 Cb 0.20 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2wmj h ARG 735 CO -0.02 0.62 0.28 -0.92 -1.07 0.00 0.00 179.97 178.86 2wmj h TYR 736 N 0.97 0.84 0.00 3.04 3.20 -0.56 -1.42 116.97 123.04 2wmj h TYR 736 Ca 0.29 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2wmj h TYR 736 Cb -0.04 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 2wmj h TYR 736 CO -0.00 0.64 -0.05 -0.39 -1.64 0.00 0.00 178.16 176.73 2wmj h VAL 737 N 0.79 0.09 -0.13 1.81 -1.51 -1.03 0.24 116.25 116.51 2wmj h VAL 737 Ca 0.20 -0.97 -0.11 0.00 -1.23 0.00 0.00 66.70 64.60 2wmj h VAL 737 Cb 0.12 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2wmj h VAL 737 CO -0.03 0.05 -0.33 0.40 -1.23 0.00 0.00 177.57 176.43 2wmj h ILE 738 N 0.00 1.37 0.00 7.19 2.04 -1.19 -3.23 117.51 123.69 2wmj h ILE 738 Ca -0.00 -1.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 2wmj h ILE 738 Cb 0.89 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2wmj h ILE 738 CO 0.01 0.48 -0.54 0.00 0.00 0.00 0.00 178.15 178.10 2wmj h ALA 739 N 0.53 0.89 -3.00 1.87 0.00 -0.99 -3.35 119.26 115.21 2wmj h ALA 739 Ca -0.00 -0.49 -0.61 0.00 0.00 0.00 0.00 54.91 53.80 2wmj h ALA 739 Cb 0.93 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 2wmj h ALA 739 CO 0.07 0.67 -0.72 -1.01 0.00 0.00 0.00 179.25 178.27 2wmj s HIS 740 N -3.45 2.36 0.33 0.00 3.76 0.83 -5.09 115.29 114.04 2wmj s HIS 740 Ca 0.00 -2.70 -0.28 0.00 -0.15 0.00 0.00 55.06 51.93 2wmj s HIS 740 Cb 0.11 -2.08 -0.12 0.00 1.11 0.00 0.00 32.58 31.60 2wmj s HIS 740 CO 0.73 -0.74 1.28 -2.30 -0.85 0.00 0.00 174.74 172.86 2wmj n PRO 741 N 3.11 2.07 -0.81 8.40 -0.02 -1.22 -4.45 135.00 142.07 2wmj n PRO 741 Ca 0.12 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 2wmj n PRO 741 Cb 0.36 -2.30 0.14 0.00 -0.02 0.00 0.00 33.50 31.68 2wmj n PRO 741 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wmj n ALA 742 N 0.41 -1.62 -1.72 3.55 0.00 -1.25 -4.86 120.51 115.01 2wmj n ALA 742 Ca 0.05 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 2wmj n ALA 742 Cb 0.35 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 2wmj n ALA 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wmj n PRO 743 N -2.72 2.43 -0.90 0.00 -0.04 -1.26 -4.84 135.00 127.66 2wmj n PRO 743 Ca 0.10 0.86 -0.30 0.00 -0.04 0.00 0.00 63.50 64.11 2wmj n PRO 743 Cb 0.52 -2.58 0.16 0.00 -0.04 0.00 0.00 33.50 31.56 2wmj n PRO 743 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wmj s SER 744 N 0.32 3.11 0.31 3.54 1.04 -1.26 -4.36 113.70 116.39 2wmj s SER 744 Ca 0.64 1.88 0.04 0.00 0.48 0.00 0.00 55.95 58.99 2wmj s SER 744 Cb -0.55 -2.45 0.65 0.00 0.10 0.00 0.00 66.02 63.77 2wmj s SER 744 CO 0.51 -2.93 1.84 0.50 0.98 0.00 0.00 173.24 174.15 2wmj h LYS 745 N -1.75 0.86 -0.43 4.02 3.64 -1.92 -0.14 116.57 120.85 2wmj h LYS 745 Ca -0.47 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.75 2wmj h LYS 745 Cb 1.27 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2wmj h LYS 745 CO 0.47 0.57 -0.16 0.93 -2.27 0.00 0.00 179.45 179.00 2wmj h GLU 746 N 0.89 0.87 -0.16 1.90 3.07 -1.98 -0.79 114.58 118.38 2wmj h GLU 746 Ca 0.49 -0.36 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 2wmj h GLU 746 Cb 0.58 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2wmj h GLU 746 CO -0.25 1.00 -0.02 -0.22 -1.40 0.00 0.00 179.01 178.12 2wmj h LYS 747 N 0.70 0.30 -0.93 2.33 3.64 -1.73 -0.61 116.57 120.27 2wmj h LYS 747 Ca 0.10 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2wmj h LYS 747 Cb 0.71 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2wmj h LYS 747 CO 0.05 0.56 0.61 0.28 -2.27 0.00 0.00 179.45 178.68 2wmj h VAL 748 N 0.01 1.18 -0.35 2.00 2.07 -0.98 -1.90 116.25 118.28 2wmj h VAL 748 Ca 0.04 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2wmj h VAL 748 Cb 0.44 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2wmj h VAL 748 CO 0.01 0.22 -0.19 0.25 0.02 0.00 0.00 177.57 177.88 2wmj h LEU 749 N 1.20 0.77 -0.87 2.57 5.85 -1.08 -1.69 115.31 122.06 2wmj h LEU 749 Ca 0.36 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2wmj h LEU 749 Cb -0.05 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 2wmj h LEU 749 CO -0.10 1.02 0.49 -0.33 -0.34 0.00 0.00 178.44 179.17 2wmj h GLU 750 N 0.52 0.73 0.00 1.25 5.08 -0.86 -2.79 114.58 118.52 2wmj h GLU 750 Ca 0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wmj h GLU 750 Cb 0.74 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2wmj h GLU 750 CO 0.06 0.48 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.10 2wmj h ASP 751 N 0.75 0.00 -3.10 1.42 3.32 -1.04 -3.46 116.42 114.31 2wmj h ASP 751 Ca 0.45 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.97 2wmj h ASP 751 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 2wmj h ASP 751 CO -0.30 0.01 0.64 -0.89 -1.72 0.00 0.00 179.24 176.98 2wmj s THR 752 N -3.33 3.67 -0.04 0.35 2.01 -0.66 -4.91 115.64 112.74 2wmj s THR 752 Ca 0.05 1.20 0.10 0.00 0.31 0.00 0.00 61.69 63.35 2wmj s THR 752 Cb 0.06 -3.77 -0.15 0.00 0.01 0.00 0.00 72.50 68.65 2wmj s THR 752 CO 0.64 0.09 0.16 0.29 -0.69 0.00 0.00 174.62 175.11 2wmj n LYS 753 N 3.95 1.05 -4.22 4.92 4.76 -1.26 -4.39 118.16 122.98 2wmj n LYS 753 Ca 0.10 -0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.29 2wmj n LYS 753 Cb 0.44 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.22 2wmj n LYS 753 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wmj s VAL 754 N -2.56 0.57 -0.17 -0.18 1.01 -1.26 -1.90 120.40 115.91 2wmj s VAL 754 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2wmj s VAL 754 Cb 0.05 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.92 2wmj s VAL 754 CO 0.43 0.21 -0.07 0.12 0.00 0.00 0.00 175.10 175.79 2wmj s PHE 755 N 0.56 1.83 0.08 5.22 5.36 -0.05 -4.25 117.98 126.72 2wmj s PHE 755 Ca -0.08 -1.15 -0.26 0.00 -0.96 0.00 0.00 56.93 54.48 2wmj s PHE 755 Cb -0.11 -1.38 -0.06 0.00 -0.34 0.00 0.00 43.02 41.13 2wmj s PHE 755 CO 0.00 -0.63 0.80 0.42 -1.46 0.00 0.00 175.22 174.34 2wmj s ILE 756 N 1.59 4.63 -0.24 3.12 1.01 0.49 -1.51 121.20 130.29 2wmj s ILE 756 Ca 0.01 1.71 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 2wmj s ILE 756 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2wmj s ILE 756 CO -0.08 0.39 -0.09 -2.28 0.00 0.00 0.00 174.94 172.88 2wmj s HIS 757 N -0.24 3.07 -5.00 3.97 5.65 0.20 -1.74 115.29 121.20 2wmj s HIS 757 Ca 0.39 -1.74 0.00 0.00 0.25 0.00 0.00 55.06 53.97 2wmj s HIS 757 Cb -0.21 -2.02 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 2wmj s HIS 757 CO 0.25 -0.77 0.00 0.41 -0.65 0.00 0.00 174.74 173.97 2wmj n GLY 758 N 4.61 -0.89 3.46 1.59 0.00 -0.65 -0.90 105.19 112.41 2wmj n GLY 758 Ca -0.16 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2wmj n GLY 758 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wmj s ASP 759 N -2.41 5.89 0.44 1.61 1.01 -1.26 -3.64 116.67 118.32 2wmj s ASP 759 Ca 0.00 -0.68 0.16 0.00 0.71 0.00 0.00 52.55 52.74 2wmj s ASP 759 Cb 0.00 -2.09 1.08 0.00 1.01 0.00 0.00 42.92 42.93 2wmj s ASP 759 CO 0.00 -0.31 1.96 1.88 0.21 0.00 0.00 175.17 178.91 2wmj h TYR 760 N 8.48 0.40 -0.75 4.23 0.05 -1.94 -2.35 116.97 125.09 2wmj h TYR 760 Ca -0.29 0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.68 2wmj h TYR 760 Cb 1.13 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.70 2wmj h TYR 760 CO 0.61 0.17 0.52 0.66 -1.05 0.00 0.00 178.16 179.07 2wmj h SER 761 N 0.36 0.21 0.75 3.88 4.64 -1.92 0.27 113.55 121.73 2wmj h SER 761 Ca 0.31 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wmj h SER 761 Cb 0.71 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2wmj h SER 761 CO -0.08 0.10 -0.15 0.59 -0.87 0.00 0.00 176.83 176.42 2wmj n ASN 762 N -4.42 0.20 -2.03 4.97 3.02 -0.88 -4.11 115.26 112.01 2wmj n ASN 762 Ca 0.15 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.69 2wmj n ASN 762 Cb 0.67 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 2wmj n ASN 762 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wmj n LYS 763 N -1.41 2.57 -0.77 3.52 4.76 -0.05 -4.96 118.16 121.82 2wmj n LYS 763 Ca 0.08 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.80 2wmj n LYS 763 Cb 0.32 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2wmj n LYS 763 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wmj n GLY 764 N -0.65 0.73 7.00 0.72 0.00 -1.12 -4.14 105.19 107.74 2wmj n GLY 764 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2wmj n GLY 764 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wmj n ASN 765 N 0.00 0.00 0.24 1.61 3.02 0.74 -1.97 115.26 118.90 2wmj n ASN 765 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 2wmj n ASN 765 Cb 0.00 0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.00 2wmj n ASN 765 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wmj h GLY 766 N 0.00 0.00 2.00 7.41 0.00 -1.86 0.06 103.07 110.68 2wmj h GLY 766 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wmj h GLY 766 CO 0.00 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.03 2wmj h LYS 767 N 0.00 0.00 -1.06 4.80 1.57 -1.64 -2.95 116.57 117.29 2wmj h LYS 767 Ca 0.08 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.16 2wmj h LYS 767 Cb 0.70 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.88 2wmj h LYS 767 CO -0.00 0.01 0.64 0.35 -0.57 0.00 0.00 179.45 179.88 2wmj h PHE 768 N 0.00 0.82 -0.00 -1.35 3.57 -1.13 -2.60 116.94 116.25 2wmj h PHE 768 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wmj h PHE 768 Cb 0.01 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2wmj h PHE 768 CO 0.00 -0.05 -0.74 1.19 -2.23 0.00 0.00 178.31 176.48 2wmj n PHE 769 N -4.84 0.00 -1.69 0.41 3.72 -1.12 -4.80 117.46 109.14 2wmj n PHE 769 Ca 0.29 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.26 2wmj n PHE 769 Cb 0.96 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.46 2wmj n PHE 769 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2wmj n VAL 770 N -1.20 0.21 -1.13 -4.37 0.31 -0.98 -0.57 118.33 110.60 2wmj n VAL 770 Ca 0.04 -0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2wmj n VAL 770 Cb 0.28 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 2wmj n VAL 770 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wmj n ASN 771 N 4.81 -4.99 -0.03 4.52 5.03 0.48 -4.81 115.26 120.28 2wmj n ASN 771 Ca 0.18 0.11 -0.03 0.00 0.87 0.00 0.00 54.58 55.71 2wmj n ASN 771 Cb 0.34 -2.89 -0.01 0.00 -1.02 0.00 0.00 39.78 36.19 2wmj n ASN 771 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wmj n VAL 772 N -2.39 0.77 -1.11 2.41 0.31 0.27 -4.94 118.33 113.66 2wmj n VAL 772 Ca -0.05 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2wmj n VAL 772 Cb 0.39 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2wmj n VAL 772 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2wmj n ASN 773 N -3.41 0.10 -4.35 4.52 0.23 0.04 -4.86 115.26 107.53 2wmj n ASN 773 Ca -0.05 -1.20 -0.28 0.00 -0.53 0.00 0.00 54.58 52.51 2wmj n ASN 773 Cb 0.19 -0.03 -0.13 0.00 -2.08 0.00 0.00 39.78 37.73 2wmj n ASN 773 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2wmj s THR 774 N -0.06 2.10 -1.22 5.53 -4.23 -0.86 -0.46 115.64 116.43 2wmj s THR 774 Ca 0.00 -1.60 0.27 0.00 -1.18 0.00 0.00 61.69 59.18 2wmj s THR 774 Cb 0.00 -1.84 0.17 0.00 1.34 0.00 0.00 72.50 72.17 2wmj s THR 774 CO 0.00 0.14 1.62 -0.90 -0.54 0.00 0.00 174.62 174.94 2wmj n ASP 775 N 1.21 0.47 -3.55 3.99 5.75 -1.26 -0.39 116.55 122.76 2wmj n ASP 775 Ca -0.18 -0.24 -0.08 0.00 -0.01 0.00 0.00 54.79 54.28 2wmj n ASP 775 Cb 0.53 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 2wmj n ASP 775 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wmj s ARG 776 N -2.84 0.99 0.16 0.11 1.70 -1.26 -4.80 118.95 113.01 2wmj s ARG 776 Ca 0.17 -0.42 -0.15 0.00 -0.47 0.00 0.00 55.73 54.85 2wmj s ARG 776 Cb 0.18 0.42 0.04 0.00 -0.57 0.00 0.00 34.95 35.03 2wmj s ARG 776 CO 0.60 -0.44 1.82 0.93 -1.08 0.00 0.00 175.30 177.13 2wmj h GLU 777 N 2.00 0.57 -3.26 3.89 5.08 -1.92 -3.39 114.58 117.55 2wmj h GLU 777 Ca -0.24 -0.03 -0.80 0.00 -1.00 0.00 0.00 59.36 57.28 2wmj h GLU 777 Cb 1.25 -0.13 -0.28 0.00 0.50 0.00 0.00 28.75 30.09 2wmj h GLU 777 CO 0.31 0.38 0.57 1.04 -1.00 0.00 0.00 179.01 180.31 2wmj n GLN 778 N -4.79 3.92 -3.77 2.33 6.02 -1.26 -4.31 117.38 115.51 2wmj n GLN 778 Ca 0.02 -4.51 -0.13 0.00 -0.01 0.00 0.00 57.00 52.37 2wmj n GLN 778 Cb 0.04 -2.53 -0.10 0.00 1.02 0.00 0.00 30.24 28.67 2wmj n GLN 778 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2wmj s THR 779 N -1.96 0.03 -2.20 5.09 -1.32 -1.26 -5.02 115.64 109.01 2wmj s THR 779 Ca 0.31 -0.29 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 2wmj s THR 779 Cb -0.03 -0.54 0.48 0.00 -1.51 0.00 0.00 72.50 70.90 2wmj s THR 779 CO -0.00 -0.16 1.44 -0.81 -2.21 0.00 0.00 174.62 172.89 2wmj n PRO 780 N 1.96 2.31 -3.90 7.08 -0.04 -1.26 -4.68 135.00 136.47 2wmj n PRO 780 Ca -0.18 -2.01 -0.22 0.00 -0.04 0.00 0.00 63.50 61.05 2wmj n PRO 780 Cb 0.57 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2wmj n PRO 780 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wmj s LEU 781 N -1.25 3.37 0.16 1.53 1.43 -1.26 -4.74 118.68 117.92 2wmj s LEU 781 Ca 0.38 -0.72 0.09 0.00 -1.03 0.00 0.00 54.13 52.85 2wmj s LEU 781 Cb 0.21 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2wmj s LEU 781 CO 0.28 -0.42 -0.13 -0.31 0.23 0.00 0.00 176.35 176.00 2wmj s TYR 782 N -2.42 2.58 -0.21 0.29 2.02 -1.26 -4.74 117.35 113.62 2wmj s TYR 782 Ca 0.41 -0.24 0.22 0.00 -0.37 0.00 0.00 57.07 57.09 2wmj s TYR 782 Cb -0.03 -1.30 -0.28 0.00 -0.40 0.00 0.00 41.96 39.95 2wmj s TYR 782 CO 0.25 0.47 0.60 0.00 -1.57 0.00 0.00 175.55 175.30 2wmj n MET 783 N 0.35 0.55 -3.83 -0.62 0.00 0.39 -4.62 117.12 109.34 2wmj n MET 783 Ca -0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 57.70 57.31 2wmj n MET 783 Cb 0.54 -1.54 -0.10 0.00 0.00 0.00 0.00 33.22 32.12 2wmj n MET 783 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2wmj s THR 784 N -3.42 0.05 -2.23 3.17 -1.32 -1.25 -3.63 115.64 107.01 2wmj s THR 784 Ca -0.05 -0.39 0.21 0.00 -1.21 0.00 0.00 61.69 60.25 2wmj s THR 784 Cb 0.14 -0.41 0.48 0.00 -1.51 0.00 0.00 72.50 71.20 2wmj s THR 784 CO 0.89 -0.21 1.45 0.61 -2.21 0.00 0.00 174.62 175.14 2wmj n GLY 785 N 2.00 1.52 0.36 6.08 0.00 -1.03 -4.64 105.19 109.48 2wmj n GLY 785 Ca -0.19 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.27 2wmj n GLY 785 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmj h ARG 786 N 3.65 0.93 -0.53 1.61 2.43 -1.94 -0.55 114.38 119.98 2wmj h ARG 786 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wmj h ARG 786 Cb 0.82 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2wmj h ARG 786 CO 0.00 0.62 0.00 0.66 -1.51 0.00 0.00 179.97 179.74 2wmj n TYR 787 N -4.64 0.70 0.00 2.20 4.01 -1.26 -4.81 117.16 113.36 2wmj n TYR 787 Ca 0.20 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2wmj n TYR 787 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 2wmj n TYR 787 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wmj n ASN 788 N 1.05 0.00 -4.42 7.72 6.94 -0.22 -3.88 115.26 122.45 2wmj n ASN 788 Ca 0.18 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.36 2wmj n ASN 788 Cb 0.52 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.82 2wmj n ASN 788 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wmj s VAL 789 N 0.00 4.39 -0.14 3.53 1.01 -1.26 -4.90 120.40 123.03 2wmj s VAL 789 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2wmj s VAL 789 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2wmj s VAL 789 CO 0.00 0.15 1.44 -0.63 0.00 0.00 0.00 175.10 176.07 2wmj s ILE 790 N 1.59 3.96 0.39 2.22 1.01 -1.25 -5.00 121.20 124.12 2wmj s ILE 790 Ca 0.05 1.15 -0.24 0.00 0.00 0.00 0.00 60.65 61.61 2wmj s ILE 790 Cb -0.16 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 2wmj s ILE 790 CO 0.05 -0.14 0.99 -2.16 0.00 0.00 0.00 174.94 173.68 2wmj s PRO 791 N 3.85 4.29 0.07 2.79 0.04 -1.26 -4.59 135.00 140.19 2wmj s PRO 791 Ca 0.63 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 2wmj s PRO 791 Cb -0.26 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2wmj s PRO 791 CO 0.22 0.00 0.13 0.00 0.04 0.00 0.00 177.00 177.39 2wmj s ALA 792 N -1.78 -0.06 0.09 8.56 0.00 -0.89 -0.38 121.76 127.31 2wmj s ALA 792 Ca 0.57 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2wmj s ALA 792 Cb -0.18 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2wmj s ALA 792 CO 0.23 -0.44 -0.15 0.96 0.00 0.00 0.00 175.76 176.36 2wmj s ILE 793 N -3.58 1.24 0.65 0.00 -4.36 -0.71 -3.59 121.20 110.84 2wmj s ILE 793 Ca 0.03 -1.46 -0.18 0.00 -0.26 0.00 0.00 60.65 58.79 2wmj s ILE 793 Cb 0.04 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 2wmj s ILE 793 CO -0.09 -0.27 1.04 -2.65 0.24 0.00 0.00 174.94 173.21 2wmj n PRO 794 N 1.03 0.84 0.29 0.37 -0.02 -1.26 -1.63 135.00 134.61 2wmj n PRO 794 Ca -0.19 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 61.76 2wmj n PRO 794 Cb 0.55 -2.27 0.85 0.00 -0.02 0.00 0.00 33.50 32.62 2wmj n PRO 794 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wmj h GLY 795 N 0.29 0.00 2.00 -1.23 0.00 -1.88 -2.19 103.07 100.06 2wmj h GLY 795 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2wmj h GLY 795 CO 0.50 0.00 -0.03 -0.24 0.00 0.00 0.00 176.54 176.78 2wmj h VAL 796 N 0.00 0.88 -3.72 4.60 3.04 -1.92 -3.44 116.25 115.68 2wmj h VAL 796 Ca -0.00 -0.09 -0.49 0.00 -1.01 0.00 0.00 66.70 65.10 2wmj h VAL 796 Cb 0.02 1.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.32 2wmj h VAL 796 CO 0.00 0.03 0.16 -0.76 -1.01 0.00 0.00 177.57 175.98 2wmj s LEU 797 N -8.59 4.19 0.40 3.16 1.43 -0.82 -5.03 118.68 113.40 2wmj s LEU 797 Ca -0.05 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.45 2wmj s LEU 797 Cb 0.16 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2wmj s LEU 797 CO 0.64 -0.12 0.67 -1.59 0.23 0.00 0.00 176.35 176.18 2wmj s LYS 798 N -2.52 3.58 -0.87 1.70 0.00 -1.26 -4.96 119.74 115.42 2wmj s LYS 798 Ca 0.50 0.05 -0.03 0.00 0.00 0.00 0.00 55.97 56.50 2wmj s LYS 798 Cb -0.13 -2.51 0.21 0.00 0.00 0.00 0.00 37.83 35.40 2wmj s LYS 798 CO 0.19 -0.00 0.75 0.95 0.00 0.00 0.00 175.35 177.23 2wmj s THR 799 N -2.45 4.38 -0.08 3.79 -4.23 -1.26 -5.16 115.64 110.63 2wmj s THR 799 Ca 0.45 -3.69 0.03 0.00 -1.18 0.00 0.00 61.69 57.30 2wmj s THR 799 Cb -0.10 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 2wmj s THR 799 CO 0.38 -1.06 -0.05 -0.90 -0.54 0.00 0.00 174.62 172.45 2wmj n ASP 800 N 2.55 3.29 -0.58 3.99 5.75 -1.26 -5.20 116.55 125.08 2wmj n ASP 800 Ca 0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2wmj n ASP 800 Cb 0.37 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2wmj n ASP 800 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2wmj n ILE 813 N -2.60 -2.99 -2.80 2.12 5.41 -1.26 -5.21 119.36 112.03 2wmj n ILE 813 Ca -0.14 0.40 -0.42 0.00 1.00 0.00 0.00 62.75 63.58 2wmj n ILE 813 Cb 0.69 -2.17 -0.04 0.00 -0.71 0.00 0.00 39.64 37.42 2wmj n ILE 813 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2wmj s GLN 814 N -2.96 4.00 -0.41 0.38 -1.52 -0.80 -4.95 119.66 113.40 2wmj s GLN 814 Ca 0.00 0.80 -0.21 0.00 -1.95 0.00 0.00 55.36 54.01 2wmj s GLN 814 Cb 0.00 -3.73 0.02 0.00 -0.22 0.00 0.00 33.01 29.07 2wmj s GLN 814 CO 0.00 -0.78 0.65 0.42 -0.25 0.00 0.00 175.29 175.33 2wmj s ILE 815 N 3.27 4.83 -0.11 1.08 1.01 -1.26 -0.87 121.20 129.15 2wmj s ILE 815 Ca 0.38 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.35 2wmj s ILE 815 Cb -0.13 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2wmj s ILE 815 CO 0.14 -0.51 -0.15 -0.54 0.00 0.00 0.00 174.94 173.88 2wmj s LYS 816 N 2.83 3.19 0.23 2.79 -0.14 -0.57 -4.96 119.74 123.10 2wmj s LYS 816 Ca 0.24 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 2wmj s LYS 816 Cb -0.14 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.39 2wmj s LYS 816 CO 0.18 0.27 1.27 -1.21 -0.76 0.00 0.00 175.35 175.10 2wmj s GLU 817 N 0.19 4.43 0.61 1.68 0.41 -1.26 -0.63 118.70 124.12 2wmj s GLU 817 Ca -0.09 2.03 0.39 0.00 -0.41 0.00 0.00 54.97 56.89 2wmj s GLU 817 Cb -0.15 -3.18 2.13 0.00 -1.78 0.00 0.00 34.13 31.15 2wmj s GLU 817 CO 0.05 -0.16 2.20 0.97 -0.49 0.00 0.00 175.26 177.83 2wmj h ILE 818 N 3.52 0.00 -0.07 -1.63 2.10 -1.39 -0.98 117.51 119.05 2wmj h ILE 818 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2wmj h ILE 818 Cb 1.22 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 2wmj h ILE 818 CO 0.73 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 178.15 2wmj n THR 819 N -2.91 0.08 -1.94 2.19 -2.24 -1.26 -4.72 114.28 103.48 2wmj n THR 819 Ca -0.03 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 2wmj n THR 819 Cb 0.10 0.68 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 2wmj n THR 819 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wmj s SER 820 N -1.87 5.19 0.51 3.42 1.04 -0.37 -4.92 113.70 116.70 2wmj s SER 820 Ca 0.35 2.20 0.21 0.00 0.48 0.00 0.00 55.95 59.19 2wmj s SER 820 Cb 0.20 -2.58 1.29 0.00 0.10 0.00 0.00 66.02 65.04 2wmj s SER 820 CO 0.31 -1.58 2.03 -0.65 0.98 0.00 0.00 173.24 174.33 2wmj h PRO 821 N 0.57 0.08 0.00 4.02 0.11 -1.92 -2.02 132.00 132.84 2wmj h PRO 821 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wmj h PRO 821 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wmj h PRO 821 CO 0.55 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.32 2wmj h GLU 822 N 0.09 0.00 -0.09 1.05 3.07 -1.91 -2.54 114.58 114.24 2wmj h GLU 822 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2wmj h GLU 822 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2wmj h GLU 822 CO -0.02 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.78 2wmj n PHE 823 N -3.06 0.10 0.29 4.33 3.72 -0.76 -1.70 117.46 120.38 2wmj n PHE 823 Ca -0.03 -0.09 0.15 0.00 -0.05 0.00 0.00 57.45 57.44 2wmj n PHE 823 Cb 0.09 -0.00 0.87 0.00 -0.94 0.00 0.00 39.48 39.50 2wmj n PHE 823 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wmj h SER 824 N 2.64 0.00 -5.28 4.37 4.64 -1.52 -3.45 113.55 114.95 2wmj h SER 824 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2wmj h SER 824 Cb 0.61 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.60 2wmj h SER 824 CO 0.00 0.05 -0.18 -0.94 -0.87 0.00 0.00 176.83 174.89 2wmj s SER 825 N -6.03 -0.06 0.11 4.97 1.04 -1.26 -5.04 113.70 107.43 2wmj s SER 825 Ca -0.04 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.15 2wmj s SER 825 Cb 0.14 0.56 -0.08 0.00 0.10 0.00 0.00 66.02 66.73 2wmj s SER 825 CO 0.55 -1.10 1.65 0.74 0.98 0.00 0.00 173.24 176.06 2wmj h THR 826 N 2.31 0.51 -0.48 2.02 2.02 -1.92 -2.09 112.91 115.29 2wmj h THR 826 Ca -0.27 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 2wmj h THR 826 Cb 1.25 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2wmj h THR 826 CO 0.38 0.00 0.00 1.56 0.37 0.00 0.00 175.52 177.83 2wmj h GLN 827 N -0.39 0.79 -0.86 6.66 1.08 -1.95 -1.91 115.11 118.53 2wmj h GLN 827 Ca 0.03 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2wmj h GLN 827 Cb 0.42 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2wmj h GLN 827 CO -0.14 0.80 0.49 0.00 -0.95 0.00 0.00 178.83 179.03 2wmj h ALA 828 N 1.26 1.11 -0.12 3.87 0.00 -1.78 -1.93 119.26 121.66 2wmj h ALA 828 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wmj h ALA 828 Cb 0.45 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wmj h ALA 828 CO 0.02 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.94 2wmj h ARG 829 N 1.20 0.17 -0.22 0.00 3.08 -0.56 -2.16 114.38 115.89 2wmj h ARG 829 Ca 0.31 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2wmj h ARG 829 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wmj h ARG 829 CO -0.05 0.17 0.05 0.87 -1.07 0.00 0.00 179.97 179.94 2wmj h LYS 830 N 0.12 0.36 -0.40 0.04 1.57 -1.34 -1.38 116.57 115.54 2wmj h LYS 830 Ca 0.04 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2wmj h LYS 830 Cb 0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2wmj h LYS 830 CO -0.01 0.49 0.08 1.49 -0.57 0.00 0.00 179.45 180.93 2wmj h GLU 831 N 0.18 0.21 -0.42 3.15 4.81 -1.33 0.33 114.58 121.50 2wmj h GLU 831 Ca 0.07 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2wmj h GLU 831 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2wmj h GLU 831 CO 0.00 0.14 0.02 -0.92 -0.73 0.00 0.00 179.01 177.52 2wmj h TYR 832 N 0.21 0.78 -0.16 0.92 3.20 -1.33 -3.12 116.97 117.47 2wmj h TYR 832 Ca 0.20 -0.13 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 2wmj h TYR 832 Cb 0.23 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 2wmj h TYR 832 CO -0.20 0.78 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.38 2wmj h LEU 833 N 0.56 0.69 -2.56 2.82 3.38 -0.93 -3.15 115.31 116.12 2wmj h LEU 833 Ca 0.12 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2wmj h LEU 833 Cb 0.45 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wmj h LEU 833 CO 0.02 1.16 -0.02 0.78 0.09 0.00 0.00 178.44 180.47 2wmj h ASN 834 N 0.44 0.00 0.68 -0.43 2.35 -0.31 0.37 115.58 118.68 2wmj h ASN 834 Ca -0.01 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.55 2wmj h ASN 834 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 2wmj h ASN 834 CO 0.12 0.02 -0.83 0.11 -1.65 0.00 0.00 177.43 175.20 2wmj h LYS 835 N 0.00 0.10 0.00 0.81 1.79 -1.50 -3.36 116.57 114.41 2wmj h LYS 835 Ca -0.00 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.21 2wmj h LYS 835 Cb 0.07 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2wmj h LYS 835 CO 0.00 0.87 -2.01 1.28 -1.08 0.00 0.00 179.45 178.51 2wmj n LEU 836 N -3.63 0.16 -4.01 2.94 4.77 -0.37 -4.74 117.00 112.12 2wmj n LEU 836 Ca -0.02 0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 2wmj n LEU 836 Cb 0.78 0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.90 2wmj n LEU 836 CO 0.46 0.19 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.03 2wmj s TYR 837 N -3.07 3.44 0.56 -1.77 2.02 0.12 -4.94 117.35 113.70 2wmj s TYR 837 Ca -0.08 -2.69 -0.18 0.00 -0.37 0.00 0.00 57.07 53.75 2wmj s TYR 837 Cb 0.10 -2.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 2wmj s TYR 837 CO 0.86 -0.92 1.09 -1.25 -1.57 0.00 0.00 175.55 173.76 2wmj s PRO 838 N 1.02 3.38 0.02 -1.71 0.04 -1.26 -4.43 135.00 132.07 2wmj s PRO 838 Ca 0.05 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 2wmj s PRO 838 Cb -0.19 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2wmj s PRO 838 CO -0.08 -0.79 1.67 1.41 0.04 0.00 0.00 177.00 179.24 2wmj s MET 839 N -3.54 4.19 -0.01 4.56 1.75 -1.26 -4.90 119.30 120.09 2wmj s MET 839 Ca 0.69 2.29 0.01 0.00 -1.25 0.00 0.00 55.69 57.43 2wmj s MET 839 Cb -0.20 -3.78 0.02 0.00 2.84 0.00 0.00 34.83 33.72 2wmj s MET 839 CO 0.29 -0.78 0.99 0.27 -0.65 0.00 0.00 175.02 175.14 2wmj n ASN 840 N 6.27 1.93 -3.75 1.11 6.94 -1.26 -5.05 115.26 121.46 2wmj n ASN 840 Ca 0.17 -2.03 -0.07 0.00 -0.02 0.00 0.00 54.58 52.62 2wmj n ASN 840 Cb 0.41 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 37.79 2wmj n ASN 840 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2wmj s TYR 841 N -1.09 -0.15 0.11 -2.53 -0.85 -1.26 -4.75 117.35 106.83 2wmj s TYR 841 Ca 0.02 -0.33 0.10 0.00 -0.52 0.00 0.00 57.07 56.35 2wmj s TYR 841 Cb 0.02 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 43.04 2wmj s TYR 841 CO 0.00 -1.25 -0.26 -1.21 -1.52 0.00 0.00 175.55 171.31 2wmj s GLU 842 N -3.69 1.48 0.00 -3.49 2.02 -0.89 -5.00 118.70 109.14 2wmj s GLU 842 Ca 0.12 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2wmj s GLU 842 Cb -0.06 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2wmj s GLU 842 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2wmj n GLY 843 N 1.14 3.05 3.52 -1.39 0.00 -1.26 -0.39 105.19 109.85 2wmj n GLY 843 Ca -0.18 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2wmj n GLY 843 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wmj s ASP 844 N 0.00 6.67 -0.09 1.61 2.15 -1.19 -4.89 116.67 120.94 2wmj s ASP 844 Ca 0.00 -2.01 -0.30 0.00 0.43 0.00 0.00 52.55 50.67 2wmj s ASP 844 Cb 0.00 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 40.24 2wmj s ASP 844 CO 0.00 -1.21 0.96 -0.51 -0.17 0.00 0.00 175.17 174.23 2wmj s ILE 845 N 3.69 0.00 0.04 4.11 2.07 -1.26 -4.11 121.20 125.73 2wmj s ILE 845 Ca 0.43 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.38 2wmj s ILE 845 Cb -0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 2wmj s ILE 845 CO -0.05 0.00 0.93 0.12 -1.91 0.00 0.00 174.94 174.02 2wmj s PHE 846 N -2.10 3.72 -0.08 3.50 5.36 -0.76 -4.57 117.98 123.04 2wmj s PHE 846 Ca 0.02 1.68 -0.18 0.00 -0.96 0.00 0.00 56.93 57.49 2wmj s PHE 846 Cb -0.01 -3.04 0.04 0.00 -0.34 0.00 0.00 43.02 39.67 2wmj s PHE 846 CO -0.03 0.11 0.42 0.00 -1.46 0.00 0.00 175.22 174.26 2wmj s ALA 847 N 0.50 -1.07 -0.09 11.12 0.00 -1.26 -1.50 121.76 129.46 2wmj s ALA 847 Ca 0.48 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 2wmj s ALA 847 Cb -0.22 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wmj s ALA 847 CO 0.27 -0.26 0.24 -1.14 0.00 0.00 0.00 175.76 174.88 2wmj s GLN 848 N -0.66 0.26 -0.14 0.00 0.74 -0.20 -2.47 119.66 117.19 2wmj s GLN 848 Ca -0.08 0.37 -0.05 0.00 0.05 0.00 0.00 55.36 55.66 2wmj s GLN 848 Cb -0.04 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 2wmj s GLN 848 CO 0.04 -0.06 0.03 0.21 -0.55 0.00 0.00 175.29 174.95 2wmj s LYS 849 N 0.35 3.53 -0.08 1.67 2.20 -1.26 -0.35 119.74 125.81 2wmj s LYS 849 Ca -0.02 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2wmj s LYS 849 Cb -0.03 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2wmj s LYS 849 CO -0.01 0.46 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.83 2wmj s LEU 850 N -0.18 1.42 0.00 5.43 1.43 0.17 -5.00 118.68 121.95 2wmj s LEU 850 Ca 0.06 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2wmj s LEU 850 Cb -0.12 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2wmj s LEU 850 CO 0.02 -0.03 0.00 -0.90 0.23 0.00 0.00 176.35 175.66 2wmj n ASP 851 N 4.23 0.00 -0.74 2.29 5.75 -1.26 -0.03 116.55 126.79 2wmj n ASP 851 Ca -0.20 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.63 2wmj n ASP 851 Cb 0.51 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.75 2wmj n ASP 851 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wmj n ASN 852 N 1.95 2.10 -4.23 -1.12 5.03 -1.26 -4.90 115.26 112.82 2wmj n ASN 852 Ca 0.00 -2.12 -0.32 0.00 0.87 0.00 0.00 54.58 53.01 2wmj n ASN 852 Cb 0.00 -0.32 -0.17 0.00 -1.02 0.00 0.00 39.78 38.27 2wmj n ASN 852 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2wmj s ARG 853 N -1.63 3.09 -0.21 3.52 0.52 0.96 -1.45 118.95 123.75 2wmj s ARG 853 Ca 0.22 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 2wmj s ARG 853 Cb 0.13 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 2wmj s ARG 853 CO 0.12 0.15 0.20 -1.58 0.02 0.00 0.00 175.30 174.21 2wmj s TRP 854 N 0.43 3.38 -0.21 -0.53 0.52 0.12 -0.66 118.94 121.98 2wmj s TRP 854 Ca -0.16 0.37 -0.06 0.00 0.02 0.00 0.00 56.10 56.27 2wmj s TRP 854 Cb -0.17 -2.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 2wmj s TRP 854 CO 0.07 0.16 0.02 -0.06 0.02 0.00 0.00 176.95 177.16 2wmj s PHE 855 N 0.75 3.07 -0.01 -1.98 0.08 0.53 -0.95 117.98 119.46 2wmj s PHE 855 Ca 0.11 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.78 2wmj s PHE 855 Cb -0.13 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2wmj s PHE 855 CO 0.03 -0.24 -0.12 0.08 -0.10 0.00 0.00 175.22 174.87 2wmj s VAL 856 N 1.11 0.95 0.03 -0.44 1.01 -0.17 -1.03 120.40 121.86 2wmj s VAL 856 Ca 0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 2wmj s VAL 856 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2wmj s VAL 856 CO 0.02 0.27 0.20 -0.72 0.00 0.00 0.00 175.10 174.87 2wmj s TYR 857 N -0.22 0.04 -0.15 5.22 -0.85 -0.57 -0.69 117.35 120.13 2wmj s TYR 857 Ca 0.04 -0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 56.06 2wmj s TYR 857 Cb -0.05 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 2wmj s TYR 857 CO -0.00 -0.42 1.07 1.21 -1.52 0.00 0.00 175.55 175.89 2wmj s ASN 858 N -2.00 7.13 0.00 -0.18 3.84 -1.02 -1.83 114.94 120.88 2wmj s ASN 858 Ca -0.06 1.53 0.21 0.00 0.21 0.00 0.00 52.86 54.74 2wmj s ASN 858 Cb -0.02 -2.55 0.79 0.00 -0.55 0.00 0.00 41.25 38.92 2wmj s ASN 858 CO -0.03 -0.58 1.57 0.00 -2.79 0.00 0.00 177.10 175.26 2wmj n TYR 859 N 5.69 0.19 -2.28 0.43 0.18 -1.26 -4.27 117.16 115.83 2wmj n TYR 859 Ca 0.11 -0.09 -0.40 0.00 1.88 0.00 0.00 57.90 59.39 2wmj n TYR 859 Cb 0.47 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.40 2wmj n TYR 859 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2wmj s LYS 860 N -1.81 4.46 -0.20 -3.48 -0.14 -1.26 -4.91 119.74 112.40 2wmj s LYS 860 Ca 0.32 2.02 -0.15 0.00 -1.36 0.00 0.00 55.97 56.80 2wmj s LYS 860 Cb 0.17 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 33.13 2wmj s LYS 860 CO 0.26 -0.02 -0.16 0.28 -0.76 0.00 0.00 175.35 174.94 2wmj n VAL 861 N 0.92 1.49 -2.60 3.17 0.31 -1.26 -4.50 118.33 115.87 2wmj n VAL 861 Ca -0.00 0.01 0.02 0.00 -0.01 0.00 0.00 64.34 64.36 2wmj n VAL 861 Cb 0.43 -2.19 0.04 0.00 -0.91 0.00 0.00 33.84 31.21 2wmj n VAL 861 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wmj n ASN 862 N -4.46 1.31 -3.96 4.52 4.05 -1.26 -4.98 115.26 110.48 2wmj n ASN 862 Ca -0.25 -2.09 -0.24 0.00 0.45 0.00 0.00 54.58 52.45 2wmj n ASN 862 Cb 0.56 -0.38 -0.17 0.00 1.23 0.00 0.00 39.78 41.03 2wmj n ASN 862 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2wmj s GLU 863 N -1.60 1.39 -1.29 1.20 8.01 -1.26 -4.26 118.70 120.89 2wmj s GLU 863 Ca 0.32 -0.28 -0.12 0.00 0.01 0.00 0.00 54.97 54.90 2wmj s GLU 863 Cb 0.36 -1.26 0.14 0.00 -4.31 0.00 0.00 34.13 29.07 2wmj s GLU 863 CO -0.11 -0.06 1.81 -1.71 0.01 0.00 0.00 175.26 175.19 2wmj n ASN 864 N 4.10 4.95 -4.19 -0.19 5.15 -1.26 -4.83 115.26 118.99 2wmj n ASN 864 Ca -0.21 -3.03 -0.32 0.00 -0.60 0.00 0.00 54.58 50.42 2wmj n ASN 864 Cb 0.51 -1.54 -0.17 0.00 -0.53 0.00 0.00 39.78 38.05 2wmj n ASN 864 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wmj s VAL 865 N 1.33 2.05 0.45 3.44 1.01 -1.26 -5.02 120.40 122.40 2wmj s VAL 865 Ca 0.42 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2wmj s VAL 865 Cb 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2wmj s VAL 865 CO -0.00 0.55 1.04 -0.54 0.00 0.00 0.00 175.10 176.15 2wmj s LYS 866 N 0.66 3.93 0.11 2.72 1.02 -1.26 -4.01 119.74 122.90 2wmj s LYS 866 Ca -0.11 1.42 0.06 0.00 0.02 0.00 0.00 55.97 57.37 2wmj s LYS 866 Cb -0.16 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 2wmj s LYS 866 CO 0.02 -0.33 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.30 2wmj s GLN 867 N -2.96 1.01 0.03 1.68 -0.21 -0.21 -5.00 119.66 114.00 2wmj s GLN 867 Ca 0.64 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.89 2wmj s GLN 867 Cb -0.19 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.78 2wmj s GLN 867 CO 0.23 0.22 -0.08 0.95 -2.12 0.00 0.00 175.29 174.49 2wmj s THR 868 N -1.64 0.59 0.06 -0.19 -4.23 -1.26 -0.83 115.64 108.14 2wmj s THR 868 Ca 0.06 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 2wmj s THR 868 Cb -0.08 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 2wmj s THR 868 CO 0.03 -0.22 0.10 -0.83 -0.54 0.00 0.00 174.62 173.17 2wmj s GLY 869 N -1.21 0.21 -0.20 3.99 0.00 -0.93 -3.14 107.32 106.03 2wmj s GLY 869 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 2wmj s GLY 869 CO 0.00 -0.87 -0.13 1.25 0.00 0.00 0.00 173.10 173.36 2wmj s LYS 870 N -3.35 3.08 0.10 2.90 2.20 0.47 -1.36 119.74 123.79 2wmj s LYS 870 Ca 0.01 -0.79 0.09 0.00 -0.36 0.00 0.00 55.97 54.92 2wmj s LYS 870 Cb 0.03 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2wmj s LYS 870 CO -0.08 -0.24 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.97 2wmj s LEU 871 N 1.35 2.63 -0.06 5.43 2.01 0.10 -2.08 118.68 128.06 2wmj s LEU 871 Ca 0.04 -0.56 0.03 0.00 0.01 0.00 0.00 54.13 53.66 2wmj s LEU 871 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 46.19 44.56 2wmj s LEU 871 CO -0.08 0.19 -0.16 -0.54 1.01 0.00 0.00 176.35 176.77 2wmj s LYS 872 N -1.99 1.95 -0.62 1.70 1.02 -1.26 -0.72 119.74 119.82 2wmj s LYS 872 Ca 0.17 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2wmj s LYS 872 Cb -0.10 -1.61 0.16 0.00 -0.52 0.00 0.00 37.83 35.75 2wmj s LYS 872 CO 0.09 0.15 0.42 -0.06 -0.92 0.00 0.00 175.35 175.03 2wmj s PHE 873 N 0.33 3.37 0.00 3.18 0.08 -0.05 -5.02 117.98 119.88 2wmj s PHE 873 Ca -0.10 -2.85 0.00 0.00 0.12 0.00 0.00 56.93 54.10 2wmj s PHE 873 Cb -0.14 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2wmj s PHE 873 CO 0.04 -0.81 0.00 0.09 -0.10 0.00 0.00 175.22 174.44 2wmj n ASN 874 N 3.29 0.00 0.00 1.36 3.02 -1.26 -0.35 115.26 121.32 2wmj n ASN 874 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2wmj n ASN 874 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2wmj n ASN 874 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2wmj n SER 875 N 6.63 0.00 -4.72 6.41 2.88 -1.26 -4.91 113.62 118.65 2wmj n SER 875 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2wmj n SER 875 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2wmj n SER 875 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2wmj s LEU 876 N 0.00 4.39 -0.13 2.46 2.96 0.52 -4.95 118.68 123.92 2wmj s LEU 876 Ca 0.00 2.32 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 2wmj s LEU 876 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2wmj s LEU 876 CO 0.00 -0.59 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.53 2wmj s GLU 877 N 0.69 3.07 -0.13 1.98 2.12 -1.24 -0.87 118.70 124.32 2wmj s GLU 877 Ca 0.61 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 55.11 2wmj s GLU 877 Cb -0.36 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.61 2wmj s GLU 877 CO 0.33 0.05 -0.14 1.41 -0.54 0.00 0.00 175.26 176.37 2wmj s MET 878 N 0.66 2.24 0.01 4.30 -2.45 0.10 -0.42 119.30 123.75 2wmj s MET 878 Ca -0.10 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 53.72 2wmj s MET 878 Cb -0.16 -2.00 -0.05 0.00 1.25 0.00 0.00 34.83 33.87 2wmj s MET 878 CO 0.02 -0.17 0.27 -0.80 1.05 0.00 0.00 175.02 175.39 2wmj s ASN 879 N 1.29 6.50 0.09 1.11 0.01 0.11 0.00 114.94 124.06 2wmj s ASN 879 Ca 0.00 0.57 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 2wmj s ASN 879 Cb -0.14 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 2wmj s ASN 879 CO -0.07 0.25 -0.13 0.68 -1.51 0.00 0.00 177.10 176.32 2wmj s VAL 880 N -1.29 1.11 -0.14 1.60 -7.23 -0.46 0.16 120.40 114.15 2wmj s VAL 880 Ca 0.27 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2wmj s VAL 880 Cb -0.13 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.62 2wmj s VAL 880 CO 0.16 -0.34 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.85 2wmj s GLU 881 N -2.15 1.43 -0.05 4.82 2.12 -0.10 -2.19 118.70 122.59 2wmj s GLU 881 Ca 0.02 -0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.02 2wmj s GLU 881 Cb -0.07 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.51 2wmj s GLU 881 CO 0.02 -0.36 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.13 2wmj s PHE 882 N 1.68 2.57 0.82 5.30 0.40 -0.01 -2.20 117.98 126.54 2wmj s PHE 882 Ca 0.03 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 2wmj s PHE 882 Cb -0.14 -1.60 0.08 0.00 0.51 0.00 0.00 43.02 41.87 2wmj s PHE 882 CO -0.08 0.04 1.10 -1.21 0.70 0.00 0.00 175.22 175.76 2wmj s GLU 883 N -0.53 1.88 0.74 0.44 2.02 -1.26 -1.04 118.70 120.94 2wmj s GLU 883 Ca 0.07 0.66 -0.16 0.00 0.02 0.00 0.00 54.97 55.57 2wmj s GLU 883 Cb -0.11 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 2wmj s GLU 883 CO 0.01 -1.77 0.72 -2.30 0.02 0.00 0.00 175.26 171.93 2wmj n PRO 884 N -3.54 0.32 -3.34 0.39 -0.02 -1.26 -3.78 135.00 123.78 2wmj n PRO 884 Ca 0.07 0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 2wmj n PRO 884 Cb 0.56 -2.00 0.08 0.00 -0.02 0.00 0.00 33.50 32.12 2wmj n PRO 884 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wmj n HIS 885 N -2.57 -2.18 -3.68 6.00 8.25 -1.26 -5.01 115.22 114.77 2wmj n HIS 885 Ca 0.11 0.89 -0.14 0.00 -0.26 0.00 0.00 57.72 58.32 2wmj n HIS 885 Cb 0.50 -4.78 -0.14 0.00 1.12 0.00 0.00 29.99 26.69 2wmj n HIS 885 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wmj s THR 886 N -3.35 -0.30 0.14 1.59 2.01 -1.25 -4.43 115.64 110.05 2wmj s THR 886 Ca 0.10 0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.48 2wmj s THR 886 Cb -0.01 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2wmj s THR 886 CO 0.71 0.12 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.82 2wmj s TYR 887 N 2.17 1.97 0.03 4.92 -0.85 -0.27 -2.43 117.35 122.88 2wmj s TYR 887 Ca 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 2wmj s TYR 887 Cb -0.12 -1.03 -0.02 0.00 0.38 0.00 0.00 41.96 41.17 2wmj s TYR 887 CO -0.07 0.31 -0.03 0.20 -1.52 0.00 0.00 175.55 174.43 2wmj s GLY 888 N -2.26 0.29 -0.16 5.49 0.00 0.14 -0.56 107.32 110.26 2wmj s GLY 888 Ca 0.12 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.18 2wmj s GLY 888 CO 0.06 -0.75 -0.16 -0.42 0.00 0.00 0.00 173.10 171.84 2wmj s ILE 889 N -1.71 1.69 -0.27 0.90 1.01 0.34 -1.00 121.20 122.15 2wmj s ILE 889 Ca -0.13 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2wmj s ILE 889 Cb -0.08 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.87 2wmj s ILE 889 CO -0.02 0.48 -0.07 -0.36 0.00 0.00 0.00 174.94 174.97 2wmj s PHE 890 N 1.44 3.24 -0.22 3.97 0.08 -0.13 -1.10 117.98 125.27 2wmj s PHE 890 Ca 0.05 -2.10 -0.05 0.00 0.12 0.00 0.00 56.93 54.95 2wmj s PHE 890 Cb -0.13 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2wmj s PHE 890 CO -0.11 -0.84 -0.02 -2.00 -0.10 0.00 0.00 175.22 172.15 2wmj s GLU 891 N 1.17 3.48 -0.07 0.44 2.12 -0.03 -0.71 118.70 125.10 2wmj s GLU 891 Ca -0.07 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2wmj s GLU 891 Cb -0.20 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2wmj s GLU 891 CO -0.04 -0.14 1.40 0.50 -0.54 0.00 0.00 175.26 176.45 2wmj s ARG 892 N 1.37 4.25 0.43 4.30 6.06 -0.53 -0.53 118.95 134.30 2wmj s ARG 892 Ca 0.04 1.90 0.06 0.00 -2.50 0.00 0.00 55.73 55.24 2wmj s ARG 892 Cb -0.14 -3.73 -0.06 0.00 0.06 0.00 0.00 34.95 31.08 2wmj s ARG 892 CO -0.01 -0.67 0.05 0.96 -2.50 0.00 0.00 175.30 173.14 2wmj s ILE 893 N 3.10 1.95 0.21 4.11 -4.36 -0.64 -4.92 121.20 120.65 2wmj s ILE 893 Ca 0.63 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.00 2wmj s ILE 893 Cb -0.28 -2.87 0.15 0.00 1.25 0.00 0.00 42.46 40.71 2wmj s ILE 893 CO 0.23 0.00 1.84 0.77 0.24 0.00 0.00 174.94 178.02 2wmj h SER 894 N 1.62 0.68 -0.46 4.36 4.64 -2.00 -2.64 113.55 119.75 2wmj h SER 894 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2wmj h SER 894 Cb 1.25 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wmj h SER 894 CO 0.77 0.45 0.00 -0.46 -0.87 0.00 0.00 176.83 176.73 2wmj n ASN 895 N -4.70 5.04 0.00 4.97 6.94 -1.26 -5.03 115.26 121.22 2wmj n ASN 895 Ca 0.08 -2.95 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 2wmj n ASN 895 Cb 0.12 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 2wmj n ASN 895 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wmj n GLY 896 N 0.21 -0.54 3.04 4.83 0.00 -0.99 -0.43 105.19 111.31 2wmj n GLY 896 Ca 0.25 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2wmj n GLY 896 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmj s LEU 897 N 0.00 0.06 -0.10 0.99 2.96 -0.19 -1.62 118.68 120.77 2wmj s LEU 897 Ca 0.00 0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 54.34 2wmj s LEU 897 Cb 0.00 0.74 -0.05 0.00 0.50 0.00 0.00 46.19 47.38 2wmj s LEU 897 CO 0.00 -0.20 0.35 -0.75 -1.32 0.00 0.00 176.35 174.43 2wmj s LYS 898 N 1.81 4.09 -0.10 1.98 2.47 0.31 -0.55 119.74 129.75 2wmj s LYS 898 Ca -0.04 0.25 0.01 0.00 -1.56 0.00 0.00 55.97 54.63 2wmj s LYS 898 Cb -0.11 -3.34 0.02 0.00 -1.46 0.00 0.00 37.83 32.94 2wmj s LYS 898 CO -0.09 0.42 -0.13 0.08 0.16 0.00 0.00 175.35 175.80 2wmj s VAL 899 N -0.15 1.31 -0.17 4.02 1.01 0.79 -0.85 120.40 126.36 2wmj s VAL 899 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2wmj s VAL 899 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2wmj s VAL 899 CO 0.08 0.40 -0.17 0.20 0.00 0.00 0.00 175.10 175.62 2wmj s ASN 900 N 1.07 3.49 0.06 3.32 0.01 -0.26 -1.75 114.94 120.89 2wmj s ASN 900 Ca -0.06 -0.53 0.08 0.00 -0.71 0.00 0.00 52.86 51.64 2wmj s ASN 900 Cb -0.15 -1.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 2wmj s ASN 900 CO -0.02 0.05 -0.23 -0.22 -1.51 0.00 0.00 177.10 175.17 2wmj s LEU 901 N 1.00 2.20 -0.14 0.60 2.96 0.10 -0.51 118.68 124.90 2wmj s LEU 901 Ca -0.02 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 2wmj s LEU 901 Cb -0.15 -1.07 0.07 0.00 0.50 0.00 0.00 46.19 45.54 2wmj s LEU 901 CO -0.04 0.17 0.16 0.21 -1.32 0.00 0.00 176.35 175.54 2wmj s ASN 902 N -1.39 1.34 -0.11 3.68 3.84 0.28 -1.10 114.94 121.48 2wmj s ASN 902 Ca 0.09 -0.08 0.17 0.00 0.21 0.00 0.00 52.86 53.24 2wmj s ASN 902 Cb -0.09 0.19 0.38 0.00 -0.55 0.00 0.00 41.25 41.17 2wmj s ASN 902 CO 0.03 -0.30 1.18 -0.46 -2.79 0.00 0.00 177.10 174.76 2wmj n ASN 903 N 5.31 1.37 -4.67 -4.21 6.94 -0.58 -1.12 115.26 118.31 2wmj n ASN 903 Ca -0.05 -2.96 -0.42 0.00 -0.02 0.00 0.00 54.58 51.12 2wmj n ASN 903 Cb 0.50 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.48 2wmj n ASN 903 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wmj s PHE 904 N -1.73 1.71 -0.29 -2.53 5.36 -1.21 -4.20 117.98 115.08 2wmj s PHE 904 Ca 0.33 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 2wmj s PHE 904 Cb 0.34 -4.11 0.18 0.00 -0.34 0.00 0.00 43.02 39.09 2wmj s PHE 904 CO -0.09 -4.78 0.49 0.50 -1.46 0.00 0.00 175.22 169.87 2wmj s ARG 905 N 3.96 0.48 0.83 10.12 3.52 -1.26 -1.05 118.95 135.55 2wmj s ARG 905 Ca 0.81 0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 56.66 2wmj s ARG 905 Cb -0.40 -0.05 0.09 0.00 -1.56 0.00 0.00 34.95 33.03 2wmj s ARG 905 CO 0.36 -1.00 1.12 0.95 -0.81 0.00 0.00 175.30 175.92 2wmj s THR 906 N 2.67 2.63 -0.32 4.11 -4.23 -1.26 -3.33 115.64 115.90 2wmj s THR 906 Ca 0.11 0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.61 2wmj s THR 906 Cb -0.12 -2.99 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 2wmj s THR 906 CO -0.27 -0.27 0.68 0.21 -0.54 0.00 0.00 174.62 174.43 2wmj s ASN 907 N -4.03 6.52 0.00 3.99 2.47 -0.27 -4.61 114.94 119.01 2wmj s ASN 907 Ca 0.62 0.41 0.23 0.00 0.42 0.00 0.00 52.86 54.53 2wmj s ASN 907 Cb -0.14 -2.35 0.50 0.00 -1.45 0.00 0.00 41.25 37.81 2wmj s ASN 907 CO 0.53 -0.56 1.43 0.29 -3.72 0.00 0.00 177.10 175.07 2wmj n LYS 908 N 6.05 2.28 -0.15 0.43 4.76 -1.26 -4.58 118.16 125.69 2wmj n LYS 908 Ca 0.00 -1.93 0.08 0.00 -2.87 0.00 0.00 58.31 53.60 2wmj n LYS 908 Cb 0.49 -1.48 0.40 0.00 -1.84 0.00 0.00 35.03 32.60 2wmj n LYS 908 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2wmj h ASP 909 N 3.86 0.57 -0.68 4.39 3.32 -1.97 -1.78 116.42 124.13 2wmj h ASP 909 Ca 0.00 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.19 2wmj h ASP 909 Cb 0.85 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2wmj h ASP 909 CO 0.00 0.36 0.46 0.77 -1.72 0.00 0.00 179.24 179.11 2wmj h SER 910 N 0.64 0.33 0.15 6.45 4.64 -1.99 0.41 113.55 124.19 2wmj h SER 910 Ca 0.30 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 2wmj h SER 910 Cb 0.36 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2wmj h SER 910 CO -0.10 0.18 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.94 2wmj h LEU 911 N 0.36 0.00 -3.01 5.97 3.38 -1.68 -2.89 115.31 117.44 2wmj h LEU 911 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2wmj h LEU 911 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2wmj h LEU 911 CO -0.09 0.03 0.00 0.79 0.09 0.00 0.00 178.44 179.26 2wmj n TRP 912 N -3.47 0.48 -1.48 1.13 7.02 0.14 -5.02 117.44 116.25 2wmj n TRP 912 Ca -0.02 -0.64 -0.38 0.00 -1.02 0.00 0.00 57.50 55.44 2wmj n TRP 912 Cb 0.13 -0.12 0.05 0.00 -2.42 0.00 0.00 31.31 28.95 2wmj n TRP 912 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wmj n SER 913 N -0.06 -0.67 -0.38 -0.99 7.64 -0.84 -2.97 113.62 115.34 2wmj n SER 913 Ca 0.13 0.73 -0.05 0.00 1.01 0.00 0.00 58.87 60.69 2wmj n SER 913 Cb 0.54 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2wmj n SER 913 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wmj n ASN 914 N 0.10 -4.18 -3.73 6.43 3.02 -1.26 -4.98 115.26 110.66 2wmj n ASN 914 Ca 0.12 0.12 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 2wmj n ASN 914 Cb 0.48 -2.12 -0.16 0.00 -0.61 0.00 0.00 39.78 37.37 2wmj n ASN 914 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wmj s ALA 915 N -1.99 1.12 -0.45 5.41 0.00 -1.16 -4.87 121.76 119.83 2wmj s ALA 915 Ca 0.00 -0.94 0.23 0.00 0.00 0.00 0.00 51.96 51.25 2wmj s ALA 915 Cb 0.00 -1.29 0.27 0.00 0.00 0.00 0.00 23.12 22.10 2wmj s ALA 915 CO 0.00 -1.31 1.35 1.96 0.00 0.00 0.00 175.76 177.76 2wmj h GLN 916 N 8.21 0.00 -4.23 0.00 7.50 -1.93 -3.46 115.11 121.20 2wmj h GLN 916 Ca -0.16 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.78 2wmj h GLN 916 Cb 1.09 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 28.50 2wmj h GLN 916 CO 0.37 0.00 -0.37 0.16 -1.50 0.00 0.00 178.83 177.50 2wmj s ASP 917 N -5.21 0.36 0.36 1.46 1.47 -1.26 -5.05 116.67 108.80 2wmj s ASP 917 Ca 0.04 -1.30 0.05 0.00 1.18 0.00 0.00 52.55 52.52 2wmj s ASP 917 Cb 0.10 0.52 0.70 0.00 -0.34 0.00 0.00 42.92 43.90 2wmj s ASP 917 CO 0.72 -1.05 1.97 0.00 0.68 0.00 0.00 175.17 177.50 2wmj h ALA 918 N 2.36 1.65 -0.67 2.11 0.00 -1.92 -1.43 119.26 121.37 2wmj h ALA 918 Ca -0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2wmj h ALA 918 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2wmj h ALA 918 CO 0.43 0.26 0.38 -0.97 0.00 0.00 0.00 179.25 179.35 2wmj h ASN 919 N 0.79 0.82 -0.20 0.00 -0.73 -1.96 -1.24 115.58 113.07 2wmj h ASN 919 Ca 0.29 -0.08 -0.16 0.00 1.87 0.00 0.00 56.30 58.22 2wmj h ASN 919 Cb 0.15 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 2wmj h ASN 919 CO -0.09 0.66 -0.45 1.56 -0.37 0.00 0.00 177.43 178.74 2wmj h GLN 920 N 0.91 0.76 -0.49 6.67 4.20 -1.78 -3.19 115.11 122.18 2wmj h GLN 920 Ca 0.24 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2wmj h GLN 920 Cb 0.01 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2wmj h GLN 920 CO -0.04 1.05 0.16 0.00 -0.67 0.00 0.00 178.83 179.32 2wmj h ALA 921 N 0.88 0.64 -0.77 3.87 0.00 -1.12 -2.03 119.26 120.72 2wmj h ALA 921 Ca 0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.95 2wmj h ALA 921 Cb 1.01 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2wmj h ALA 921 CO 0.10 0.28 0.52 -0.22 0.00 0.00 0.00 179.25 179.94 2wmj h LYS 922 N 0.65 0.28 -0.29 0.00 3.64 -1.22 -2.16 116.57 117.47 2wmj h LYS 922 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wmj h LYS 922 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2wmj h LYS 922 CO -0.01 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.99 2wmj n LYS 923 N -4.44 2.26 -1.49 1.90 5.02 -0.79 -4.86 118.16 115.76 2wmj n LYS 923 Ca 0.15 -1.90 -0.36 0.00 -2.02 0.00 0.00 58.31 54.18 2wmj n LYS 923 Cb 0.64 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.25 2wmj n LYS 923 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wmj n LEU 924 N 1.14 4.07 -4.75 -0.35 4.77 -0.82 -4.92 117.00 116.14 2wmj n LEU 924 Ca 0.18 0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 56.48 2wmj n LEU 924 Cb 0.53 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2wmj n LEU 924 CO 0.15 -1.80 1.06 -0.81 -1.33 0.00 0.00 177.39 174.66 2wmj n PRO 925 N -1.69 2.42 -1.66 3.23 -0.04 -1.26 -4.90 135.00 131.11 2wmj n PRO 925 Ca 0.14 0.85 -0.45 0.00 -0.04 0.00 0.00 63.50 64.00 2wmj n PRO 925 Cb 0.49 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 2wmj n PRO 925 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wmj n GLN 926 N 0.28 1.89 -0.07 0.54 1.13 -1.26 -4.89 117.38 115.00 2wmj n GLN 926 Ca 0.03 0.67 -0.11 0.00 -1.94 0.00 0.00 57.00 55.65 2wmj n GLN 926 Cb 0.39 -2.28 0.02 0.00 0.11 0.00 0.00 30.24 28.47 2wmj n GLN 926 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2wmj h LEU 927 N 3.78 0.86 0.00 1.08 5.85 -1.93 -3.50 115.31 121.44 2wmj h LEU 927 Ca -0.45 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 57.87 2wmj h LEU 927 Cb 1.29 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2wmj h LEU 927 CO 0.73 1.16 0.00 0.41 -0.34 0.00 0.00 178.44 180.40 2wmj n THR 928 N -4.03 0.00 0.14 1.05 -1.04 -1.26 -3.57 114.28 105.57 2wmj n THR 928 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 2wmj n THR 928 Cb 0.55 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.99 2wmj n THR 928 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2wmj h LYS 929 N 0.00 -0.33 -0.64 -2.82 3.64 -1.98 0.36 116.57 114.80 2wmj h LYS 929 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2wmj h LYS 929 Cb 0.00 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2wmj h LYS 929 CO 0.00 -0.22 0.27 0.87 -2.27 0.00 0.00 179.45 178.10 2wmj h LYS 930 N -0.35 0.92 -0.56 1.90 1.57 -2.00 -2.54 116.57 115.51 2wmj h LYS 930 Ca -0.01 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2wmj h LYS 930 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2wmj h LYS 930 CO 0.01 0.74 0.07 0.78 -0.57 0.00 0.00 179.45 180.48 2wmj h GLY 931 N 1.01 0.98 1.13 3.86 0.00 -1.54 -1.78 103.07 106.72 2wmj h GLY 931 Ca 0.22 -0.63 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 2wmj h GLY 931 CO -0.02 0.58 -0.37 0.00 0.00 0.00 0.00 176.54 176.73 2wmj h ALA 932 N 1.22 0.58 -0.48 3.60 0.00 -0.59 0.11 119.26 123.71 2wmj h ALA 932 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2wmj h ALA 932 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wmj h ALA 932 CO 0.01 0.68 0.28 0.82 0.00 0.00 0.00 179.25 181.04 2wmj h ILE 933 N 0.78 1.16 -0.78 0.00 2.04 -1.38 -1.10 117.51 118.23 2wmj h ILE 933 Ca 0.07 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2wmj h ILE 933 Cb 0.96 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2wmj h ILE 933 CO 0.09 0.16 0.32 0.50 0.00 0.00 0.00 178.15 179.22 2wmj h LYS 934 N 0.63 1.17 -0.65 2.37 1.63 -1.07 -1.49 116.57 119.16 2wmj h LYS 934 Ca 0.17 -0.21 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2wmj h LYS 934 Cb 0.02 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.42 2wmj h LYS 934 CO -0.03 0.94 0.38 2.35 -3.45 0.00 0.00 179.45 179.64 2wmj h TRP 935 N 1.13 0.70 0.04 1.91 7.01 -0.38 -0.42 115.95 125.94 2wmj h TRP 935 Ca 0.26 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 2wmj h TRP 935 Cb 0.21 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2wmj h TRP 935 CO 0.02 0.37 -0.02 0.82 -2.79 0.00 0.00 178.44 176.84 2wmj h ILE 936 N 0.72 0.95 -0.53 2.65 2.04 -0.90 0.37 117.51 122.82 2wmj h ILE 936 Ca 0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.22 2wmj h ILE 936 Cb 0.10 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2wmj h ILE 936 CO -0.14 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.84 2wmj h GLU 937 N -0.06 0.32 0.14 2.37 5.08 -1.05 0.25 114.58 121.62 2wmj h GLU 937 Ca -0.00 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.00 2wmj h GLU 937 Cb 0.05 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2wmj h GLU 937 CO 0.01 0.21 -1.70 0.93 -1.00 0.00 0.00 179.01 177.45 2wmj h GLU 938 N 0.33 0.30 0.00 2.33 5.08 -0.89 -3.32 114.58 118.40 2wmj h GLU 938 Ca 0.26 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2wmj h GLU 938 Cb 0.32 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wmj h GLU 938 CO -0.29 1.18 0.00 0.72 -1.00 0.00 0.00 179.01 179.62 2wmj n HIS 939 N -3.49 0.00 -0.01 4.33 8.25 0.13 -4.34 115.22 120.09 2wmj n HIS 939 Ca -0.22 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.20 2wmj n HIS 939 Cb 1.06 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.16 2wmj n HIS 939 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2wmj n TYR 940 N -0.25 0.00 -0.18 4.41 9.36 -0.83 -3.84 117.16 125.83 2wmj n TYR 940 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 2wmj n TYR 940 Cb 0.04 -0.15 0.02 0.00 -0.63 0.00 0.00 39.34 38.62 2wmj n TYR 940 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2wmj h ILE 941 N -0.17 1.18 -2.76 2.97 1.08 -0.73 -3.40 117.51 115.68 2wmj h ILE 941 Ca -0.09 -0.48 -0.47 0.00 -0.39 0.00 0.00 64.86 63.42 2wmj h ILE 941 Cb 0.86 0.55 -0.14 0.00 -3.07 0.00 0.00 36.82 35.02 2wmj h ILE 941 CO -0.05 0.20 -0.70 -1.59 -0.69 0.00 0.00 178.15 175.31 2wmj s LYS 942 N -5.81 1.45 -1.59 2.37 -2.85 -1.25 -4.81 119.74 107.25 2wmj s LYS 942 Ca -0.13 -1.69 -0.03 0.00 -1.00 0.00 0.00 55.97 53.12 2wmj s LYS 942 Cb 0.12 -1.14 0.01 0.00 -2.06 0.00 0.00 37.83 34.76 2wmj s LYS 942 CO 0.76 0.11 0.39 -0.25 0.10 0.00 0.00 175.35 176.46 2wmj n ASP 943 N -0.49 -5.81 -4.73 0.03 9.92 -1.26 -3.17 116.55 111.04 2wmj n ASP 943 Ca -0.07 -0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 53.58 2wmj n ASP 943 Cb 0.62 -4.75 -0.01 0.00 -0.64 0.00 0.00 41.12 36.33 2wmj n ASP 943 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wmj n THR 944 N -4.27 1.35 -3.07 -3.53 -1.04 -1.25 -4.70 114.28 97.77 2wmj n THR 944 Ca -0.15 -0.34 -0.45 0.00 -2.04 0.00 0.00 64.05 61.07 2wmj n THR 944 Cb 0.64 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.31 2wmj n THR 944 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wmj s GLN 945 N -1.02 3.73 0.51 -2.82 -1.52 -1.26 -5.03 119.66 112.25 2wmj s GLN 945 Ca 0.61 -2.19 -0.21 0.00 -1.95 0.00 0.00 55.36 51.62 2wmj s GLN 945 Cb -0.53 -4.78 -0.06 0.00 -0.22 0.00 0.00 33.01 27.42 2wmj s GLN 945 CO 0.54 -1.60 1.18 -0.06 -0.25 0.00 0.00 175.29 175.09 2wmj s PHE 946 N 1.53 2.68 0.94 0.91 0.08 -1.26 -1.11 117.98 121.75 2wmj s PHE 946 Ca 0.30 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.75 2wmj s PHE 946 Cb -0.06 -3.40 0.15 0.00 -0.57 0.00 0.00 43.02 39.14 2wmj s PHE 946 CO -0.08 -1.76 1.09 0.20 -0.10 0.00 0.00 175.22 174.57 2wmj s GLY 947 N -1.49 1.60 0.53 4.36 0.00 -1.21 -4.28 107.32 106.82 2wmj s GLY 947 Ca 0.69 -0.18 -0.20 0.00 0.00 0.00 0.00 44.72 45.03 2wmj s GLY 947 CO 0.33 0.36 1.11 -0.54 0.00 0.00 0.00 173.10 174.36 2wmj s GLU 948 N -4.94 3.47 0.59 2.90 0.41 -1.26 -4.93 118.70 114.95 2wmj s GLU 948 Ca 0.64 1.57 -0.18 0.00 -0.41 0.00 0.00 54.97 56.59 2wmj s GLU 948 Cb -0.18 -2.05 -0.04 0.00 -1.78 0.00 0.00 34.13 30.09 2wmj s GLU 948 CO 0.57 -0.74 1.15 0.15 -0.49 0.00 0.00 175.26 175.90 2wmj s LYS 949 N -3.24 3.08 0.04 1.61 1.02 -1.26 -4.68 119.74 116.30 2wmj s LYS 949 Ca 0.71 1.63 -0.10 0.00 0.02 0.00 0.00 55.97 58.23 2wmj s LYS 949 Cb -0.22 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2wmj s LYS 949 CO 0.26 -1.08 0.21 -0.98 -0.92 0.00 0.00 175.35 172.84 2wmj s ARG 950 N -3.50 0.72 -0.05 1.68 1.70 -0.29 -4.76 118.95 114.46 2wmj s ARG 950 Ca 0.73 -0.62 -0.22 0.00 -0.47 0.00 0.00 55.73 55.15 2wmj s ARG 950 Cb -0.25 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 2wmj s ARG 950 CO 0.32 -0.21 0.64 0.08 -1.08 0.00 0.00 175.30 175.05 2wmj s VAL 951 N -2.60 5.00 -0.09 4.99 1.01 -1.26 -1.88 120.40 125.57 2wmj s VAL 951 Ca -0.05 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.29 2wmj s VAL 951 Cb -0.01 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2wmj s VAL 951 CO -0.04 0.32 -0.20 -0.89 0.00 0.00 0.00 175.10 174.30 2wmj s THR 952 N 0.40 2.50 -0.08 3.92 2.01 -0.14 -4.43 115.64 119.81 2wmj s THR 952 Ca 0.34 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2wmj s THR 952 Cb -0.18 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2wmj s THR 952 CO 0.17 0.56 -0.10 -0.54 -0.69 0.00 0.00 174.62 174.02 2wmj s LYS 953 N 0.06 2.89 -0.09 4.92 1.02 -0.94 -0.97 119.74 126.63 2wmj s LYS 953 Ca -0.08 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2wmj s LYS 953 Cb -0.15 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2wmj s LYS 953 CO 0.05 0.52 -0.21 0.42 -0.92 0.00 0.00 175.35 175.22 2wmj s ILE 954 N -0.45 1.79 -0.14 2.17 1.01 -0.64 -0.92 121.20 124.01 2wmj s ILE 954 Ca 0.06 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2wmj s ILE 954 Cb -0.12 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2wmj s ILE 954 CO 0.02 0.50 -0.15 -0.69 0.00 0.00 0.00 174.94 174.62 2wmj s VAL 955 N 0.40 1.64 -0.13 2.92 1.01 0.12 -0.27 120.40 126.10 2wmj s VAL 955 Ca -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2wmj s VAL 955 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2wmj s VAL 955 CO 0.07 0.47 0.07 -0.76 0.00 0.00 0.00 175.10 174.95 2wmj s LEU 956 N 1.33 3.91 0.23 3.92 1.43 -0.49 0.10 118.68 129.11 2wmj s LEU 956 Ca 0.02 0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2wmj s LEU 956 Cb -0.13 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2wmj s LEU 956 CO -0.09 0.32 -0.16 -0.13 0.23 0.00 0.00 176.35 176.52 2wmj s ARG 957 N -0.50 1.80 -0.61 1.70 1.81 0.44 -1.94 118.95 121.66 2wmj s ARG 957 Ca 0.10 -1.53 -0.02 0.00 -1.72 0.00 0.00 55.73 52.56 2wmj s ARG 957 Cb -0.12 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.45 2wmj s ARG 957 CO 0.02 0.38 0.52 0.41 -0.68 0.00 0.00 175.30 175.95 2wmj n GLY 958 N -0.24 0.16 3.40 -3.53 0.00 0.56 -3.69 105.19 101.85 2wmj n GLY 958 Ca -0.09 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2wmj n GLY 958 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmj s ILE 959 N -3.16 3.11 -0.09 -0.61 1.09 0.32 -5.00 121.20 116.86 2wmj s ILE 959 Ca 0.15 -0.65 -0.11 0.00 -1.10 0.00 0.00 60.65 58.94 2wmj s ILE 959 Cb -0.07 -2.29 -0.28 0.00 -1.06 0.00 0.00 42.46 38.76 2wmj s ILE 959 CO 0.35 0.53 0.53 -2.24 -0.10 0.00 0.00 174.94 174.01 2wmj h ASP 960 N 6.46 0.49 -5.43 3.58 2.03 -1.94 -3.37 116.42 118.24 2wmj h ASP 960 Ca -0.29 -0.91 -0.18 0.00 -0.73 0.00 0.00 57.03 54.91 2wmj h ASP 960 Cb 1.20 -0.16 -0.15 0.00 -0.83 0.00 0.00 39.33 39.39 2wmj h ASP 960 CO 0.55 1.77 -0.64 -1.59 -1.03 0.00 0.00 179.24 178.30 2wmj s LYS 961 N -2.54 0.94 -0.01 4.15 -2.85 -1.26 -5.04 119.74 113.12 2wmj s LYS 961 Ca -0.19 -1.44 -0.30 0.00 -1.00 0.00 0.00 55.97 53.04 2wmj s LYS 961 Cb 0.06 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 2wmj s LYS 961 CO 0.80 -0.27 2.01 -0.11 0.10 0.00 0.00 175.35 177.89 2wmj n LEU 962 N -0.10 4.00 -4.75 2.77 7.94 -1.26 -4.99 117.00 120.61 2wmj n LEU 962 Ca -0.05 0.79 -0.31 0.00 -1.11 0.00 0.00 56.01 55.33 2wmj n LEU 962 Cb 0.64 -1.53 0.10 0.00 0.53 0.00 0.00 43.42 43.16 2wmj n LEU 962 CO 0.31 0.05 0.71 -2.84 -1.11 0.00 0.00 177.39 174.50 2wmj s PRO 963 N 4.77 2.11 0.17 1.96 0.02 -1.26 -4.97 135.00 137.79 2wmj s PRO 963 Ca 0.91 1.29 0.09 0.00 0.02 0.00 0.00 61.00 63.31 2wmj s PRO 963 Cb -0.43 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2wmj s PRO 963 CO 0.41 -1.77 -0.13 0.95 -0.33 0.00 0.00 177.00 176.13 2wmj s THR 964 N -2.75 3.01 -0.13 0.99 -4.23 -0.68 -4.93 115.64 106.91 2wmj s THR 964 Ca 0.63 -1.70 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 2wmj s THR 964 Cb -0.19 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2wmj s THR 964 CO 0.54 -0.08 0.09 -0.63 -0.54 0.00 0.00 174.62 174.00 2wmj s ILE 965 N -1.63 5.09 0.04 2.99 1.01 -1.26 -1.10 121.20 126.34 2wmj s ILE 965 Ca 0.23 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 2wmj s ILE 965 Cb -0.09 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2wmj s ILE 965 CO 0.14 0.57 -0.03 -1.00 0.00 0.00 0.00 174.94 174.61 2wmj s HIS 966 N -0.58 0.40 -1.38 3.97 3.76 0.13 -4.90 115.29 116.69 2wmj s HIS 966 Ca 0.12 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.17 2wmj s HIS 966 Cb -0.12 -0.30 0.03 0.00 1.11 0.00 0.00 32.58 33.30 2wmj s HIS 966 CO 0.02 -0.28 0.83 0.43 -0.85 0.00 0.00 174.74 174.88 2wmj n SER 967 N 0.83 -2.65 -4.67 1.40 7.64 -1.26 -0.70 113.62 114.20 2wmj n SER 967 Ca -0.19 -0.79 -0.43 0.00 1.01 0.00 0.00 58.87 58.48 2wmj n SER 967 Cb 0.58 -4.08 -0.03 0.00 -1.01 0.00 0.00 64.21 59.67 2wmj n SER 967 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wmj s LEU 968 N -6.90 4.14 0.23 -3.43 2.96 -1.26 -3.90 118.68 110.52 2wmj s LEU 968 Ca 0.25 1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 55.39 2wmj s LEU 968 Cb -0.12 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2wmj s LEU 968 CO 0.81 -0.56 0.47 -0.94 -1.32 0.00 0.00 176.35 174.80 2wmj s SER 969 N 1.18 -0.11 0.00 3.68 1.04 -0.73 -5.03 113.70 113.73 2wmj s SER 969 Ca 0.43 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2wmj s SER 969 Cb -0.16 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2wmj s SER 969 CO 0.10 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2wmj n GLY 970 N -0.35 -1.85 3.55 7.32 0.00 -1.26 -1.34 105.19 111.25 2wmj n GLY 970 Ca -0.04 -1.13 -0.51 0.00 0.00 0.00 0.00 46.02 44.33 2wmj n GLY 970 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wmj n THR 971 N 0.97 0.65 -1.67 2.61 -1.04 -0.55 -4.81 114.28 110.43 2wmj n THR 971 Ca 0.00 -0.16 -0.46 0.00 -2.04 0.00 0.00 64.05 61.39 2wmj n THR 971 Cb 0.00 -0.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 2wmj n THR 971 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2wmj n ASN 972 N 2.01 2.96 -3.32 8.00 5.15 -1.26 -2.81 115.26 125.99 2wmj n ASN 972 Ca 0.17 1.10 -0.24 0.00 -0.60 0.00 0.00 54.58 55.01 2wmj n ASN 972 Cb 0.20 -1.42 0.03 0.00 -0.53 0.00 0.00 39.78 38.06 2wmj n ASN 972 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wmj n ASN 973 N 3.01 -5.24 0.00 1.20 5.03 -1.26 -4.88 115.26 113.13 2wmj n ASN 973 Ca 0.15 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.19 2wmj n ASN 973 Cb 0.29 -4.23 0.00 0.00 -1.02 0.00 0.00 39.78 34.82 2wmj n ASN 973 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2wmj n SER 974 N -2.55 0.55 -3.83 6.41 3.41 -1.12 -5.03 113.62 111.45 2wmj n SER 974 Ca -0.05 -0.80 -0.12 0.00 -0.26 0.00 0.00 58.87 57.64 2wmj n SER 974 Cb 0.58 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.69 2wmj n SER 974 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wmj s TYR 975 N -0.28 -0.09 0.61 7.33 -0.85 -1.26 -0.29 117.35 122.52 2wmj s TYR 975 Ca 0.00 0.20 -0.08 0.00 -0.52 0.00 0.00 57.07 56.66 2wmj s TYR 975 Cb 0.00 0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.35 2wmj s TYR 975 CO 0.00 -0.20 0.96 -0.51 -1.52 0.00 0.00 175.55 174.28 2wmj s ASP 976 N -0.66 5.84 0.08 -0.18 1.01 -0.44 -5.01 116.67 117.32 2wmj s ASP 976 Ca -0.08 1.04 -0.31 0.00 0.71 0.00 0.00 52.55 53.91 2wmj s ASP 976 Cb -0.04 -2.06 -0.09 0.00 1.01 0.00 0.00 42.92 41.74 2wmj s ASP 976 CO 0.01 -0.99 1.74 -1.58 0.21 0.00 0.00 175.17 174.56 2wmj s GLN 977 N -5.08 4.17 0.39 8.23 2.00 -1.26 -4.67 119.66 123.43 2wmj s GLN 977 Ca 0.54 2.44 -0.27 0.00 -2.00 0.00 0.00 55.36 56.07 2wmj s GLN 977 Cb -0.11 -3.64 -0.11 0.00 0.80 0.00 0.00 33.01 29.96 2wmj s GLN 977 CO 0.49 -0.79 1.29 -2.30 -0.50 0.00 0.00 175.29 173.48 2wmj n PRO 978 N 5.78 2.05 -3.80 1.67 -0.02 -1.26 -4.92 135.00 134.49 2wmj n PRO 978 Ca 0.17 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 2wmj n PRO 978 Cb 0.40 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 2wmj n PRO 978 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wmj s SER 979 N -0.43 6.10 0.02 2.55 0.15 -0.55 -4.95 113.70 116.59 2wmj s SER 979 Ca 0.58 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.47 2wmj s SER 979 Cb -0.53 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2wmj s SER 979 CO 0.60 0.20 0.02 -0.76 1.20 0.00 0.00 173.24 174.50 2wmj s LEU 980 N 0.25 3.60 -0.21 3.45 1.02 -1.26 -0.46 118.68 125.07 2wmj s LEU 980 Ca 0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 2wmj s LEU 980 Cb -0.11 -2.14 0.07 0.00 0.02 0.00 0.00 46.19 44.03 2wmj s LEU 980 CO -0.01 0.25 0.06 0.21 0.02 0.00 0.00 176.35 176.88 2wmj s ASN 981 N -1.80 2.97 -0.27 2.29 3.84 -0.29 -5.00 114.94 116.68 2wmj s ASN 981 Ca 0.22 -0.91 -0.10 0.00 0.21 0.00 0.00 52.86 52.28 2wmj s ASN 981 Cb -0.12 -0.52 -0.04 0.00 -0.55 0.00 0.00 41.25 40.02 2wmj s ASN 981 CO 0.13 -0.34 0.17 0.12 -2.79 0.00 0.00 177.10 174.39 2wmj s PHE 982 N 1.92 3.19 -0.72 0.43 5.36 -1.26 -1.16 117.98 125.73 2wmj s PHE 982 Ca 0.02 -0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 55.88 2wmj s PHE 982 Cb -0.17 -2.35 0.19 0.00 -0.34 0.00 0.00 43.02 40.35 2wmj s PHE 982 CO -0.13 -0.21 0.62 0.34 -1.46 0.00 0.00 175.22 174.38 2wmj s ASP 983 N 1.73 6.13 0.24 6.13 -1.08 -0.01 -4.97 116.67 124.84 2wmj s ASP 983 Ca 0.07 -2.67 -0.06 0.00 -0.52 0.00 0.00 52.55 49.36 2wmj s ASP 983 Cb -0.16 -2.07 0.31 0.00 -1.46 0.00 0.00 42.92 39.54 2wmj s ASP 983 CO 0.09 -0.52 1.85 -0.61 0.52 0.00 0.00 175.17 176.51 2wmj h GLN 984 N 7.59 0.94 -0.53 4.34 5.75 -1.95 -2.59 115.11 128.65 2wmj h GLN 984 Ca 0.03 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 2wmj h GLN 984 Cb 1.01 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 2wmj h GLN 984 CO 0.76 0.62 -0.11 1.57 -2.65 0.00 0.00 178.83 179.02 2wmj h LYS 985 N 0.96 1.01 -0.31 1.69 2.10 -1.94 -2.99 116.57 117.10 2wmj h LYS 985 Ca 0.36 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2wmj h LYS 985 Cb 0.14 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2wmj h LYS 985 CO -0.16 1.06 0.00 0.09 -2.00 0.00 0.00 179.45 178.44 2wmj n ASN 986 N -4.17 2.17 -3.76 7.07 5.03 -1.05 -4.93 115.26 115.62 2wmj n ASN 986 Ca 0.01 -1.87 -0.27 0.00 0.87 0.00 0.00 54.58 53.32 2wmj n ASN 986 Cb 0.40 -0.20 0.05 0.00 -1.02 0.00 0.00 39.78 39.01 2wmj n ASN 986 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wmj n HIS 987 N 0.66 -2.50 -3.94 3.10 8.25 -1.00 -4.60 115.22 115.20 2wmj n HIS 987 Ca 0.16 0.95 -0.10 0.00 -0.26 0.00 0.00 57.72 58.46 2wmj n HIS 987 Cb 0.38 -4.46 -0.12 0.00 1.12 0.00 0.00 29.99 26.91 2wmj n HIS 987 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmj s MET 988 N -6.41 0.25 -0.06 -0.41 0.23 -1.11 0.12 119.30 111.91 2wmj s MET 988 Ca 0.57 -0.42 0.03 0.00 -1.03 0.00 0.00 55.69 54.84 2wmj s MET 988 Cb -0.27 0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.13 2wmj s MET 988 CO 0.79 -0.04 -0.15 0.08 -2.03 0.00 0.00 175.02 173.67 2wmj s VAL 989 N -1.06 1.27 -0.23 5.16 1.01 -0.82 -0.83 120.40 124.91 2wmj s VAL 989 Ca -0.12 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2wmj s VAL 989 Cb -0.07 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2wmj s VAL 989 CO -0.00 0.38 0.07 -0.89 0.00 0.00 0.00 175.10 174.66 2wmj s THR 990 N 0.37 4.50 -0.22 3.92 2.01 -0.31 -1.40 115.64 124.51 2wmj s THR 990 Ca -0.10 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 2wmj s THR 990 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2wmj s THR 990 CO 0.03 0.37 0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 2wmj s ILE 991 N 1.22 4.66 -0.22 1.82 1.01 0.63 -1.13 121.20 129.18 2wmj s ILE 991 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 2wmj s ILE 991 Cb -0.14 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2wmj s ILE 991 CO 0.04 0.38 0.01 -0.89 0.00 0.00 0.00 174.94 174.47 2wmj s THR 992 N 1.06 3.85 -0.12 2.92 2.01 0.39 -1.63 115.64 124.12 2wmj s THR 992 Ca 0.05 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 2wmj s THR 992 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2wmj s THR 992 CO 0.03 0.40 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.69 2wmj s ILE 993 N 1.37 3.87 -0.25 1.82 1.01 -0.15 -1.49 121.20 127.38 2wmj s ILE 993 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2wmj s ILE 993 Cb -0.15 -2.65 0.06 0.00 0.01 0.00 0.00 42.46 39.74 2wmj s ILE 993 CO 0.01 0.54 -0.08 0.21 0.00 0.00 0.00 174.94 175.62 2wmj s ASN 994 N -0.17 4.14 0.20 3.58 3.04 -1.26 -0.97 114.94 123.50 2wmj s ASN 994 Ca 0.03 -1.30 -0.23 0.00 0.04 0.00 0.00 52.86 51.41 2wmj s ASN 994 Cb -0.13 -1.35 0.05 0.00 -1.54 0.00 0.00 41.25 38.28 2wmj s ASN 994 CO 0.02 -0.22 0.68 -0.94 -3.04 0.00 0.00 177.10 173.61 2wmj s SER 995 N 1.25 -0.42 -0.36 -4.21 1.04 -0.78 -1.32 113.70 108.90 2wmj s SER 995 Ca -0.07 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.14 2wmj s SER 995 Cb -0.19 0.64 0.17 0.00 0.10 0.00 0.00 66.02 66.73 2wmj s SER 995 CO -0.06 -1.10 0.47 0.21 0.98 0.00 0.00 173.24 173.74 2wmj s ASN 996 N -2.81 0.10 0.00 7.02 3.04 0.61 -1.13 114.94 121.76 2wmj s ASN 996 Ca 0.06 -1.04 0.00 0.00 0.04 0.00 0.00 52.86 51.92 2wmj s ASN 996 Cb -0.03 1.14 0.00 0.00 -1.54 0.00 0.00 41.25 40.82 2wmj s ASN 996 CO -0.04 -0.25 0.00 0.61 -3.04 0.00 0.00 177.10 174.38 2wmj n GLY 997 N 4.57 -0.81 3.94 1.21 0.00 -1.26 -4.78 105.19 108.05 2wmj n GLY 997 Ca 0.09 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 2wmj n GLY 997 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wmj s ASN 998 N -4.00 6.17 -0.27 1.61 4.22 -1.26 -1.53 114.94 119.88 2wmj s ASN 998 Ca 0.00 0.53 -0.25 0.00 -2.14 0.00 0.00 52.86 51.00 2wmj s ASN 998 Cb 0.00 -1.96 0.08 0.00 1.28 0.00 0.00 41.25 40.65 2wmj s ASN 998 CO 0.00 -0.47 0.78 -0.22 -2.04 0.00 0.00 177.10 175.16 2wmj s LEU 999 N -4.48 -0.69 0.04 3.54 2.96 -0.26 -1.49 118.68 118.30 2wmj s LEU 999 Ca 0.44 1.33 -0.07 0.00 -0.22 0.00 0.00 54.13 55.61 2wmj s LEU 999 Cb -0.10 2.35 -0.00 0.00 0.50 0.00 0.00 46.19 48.93 2wmj s LEU 999 CO 0.39 -0.23 0.14 -1.83 -1.32 0.00 0.00 176.35 173.50 2wmj s GLU 1000N 0.38 0.64 -0.00 1.98 -1.05 -0.45 0.03 118.70 120.23 2wmj s GLU 1000Ca 0.00 -0.70 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 2wmj s GLU 1000Cb -0.05 0.26 0.12 0.00 -0.44 0.00 0.00 34.13 34.01 2wmj s GLU 1000CO -0.01 -0.17 1.25 -0.59 0.95 0.00 0.00 175.26 176.69 2wmj s PHE 1001N -2.62 -0.06 -0.01 4.83 -0.12 -0.72 -1.78 117.98 117.51 2wmj s PHE 1001Ca -0.05 -0.07 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 2wmj s PHE 1001Cb -0.01 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2wmj s PHE 1001CO -0.04 -0.33 -0.24 -1.21 -0.05 0.00 0.00 175.22 173.35 2wmj s GLU 1002N -2.52 1.90 -0.19 1.99 2.02 0.12 -0.15 118.70 121.88 2wmj s GLU 1002Ca 0.14 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2wmj s GLU 1002Cb 0.04 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 2wmj s GLU 1002CO -0.03 0.51 -0.00 -0.51 0.02 0.00 0.00 175.26 175.24 2wmj s LEU 1003N -0.59 3.31 -0.17 1.80 1.43 0.28 -0.69 118.68 124.04 2wmj s LEU 1003Ca 0.09 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 2wmj s LEU 1003Cb -0.09 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2wmj s LEU 1003CO -0.01 0.10 0.02 -1.00 0.23 0.00 0.00 176.35 175.69 2wmj s HIS 1004N 0.79 3.15 0.00 0.29 3.76 -0.26 -1.03 115.29 122.00 2wmj s HIS 1004Ca 0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2wmj s HIS 1004Cb -0.14 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2wmj s HIS 1004CO 0.02 0.08 0.00 1.97 -0.85 0.00 0.00 174.74 175.96