#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmj n ASP 423 N 0.00 3.91 -4.72 4.52 8.00 -1.26 -4.62 116.55 122.39 2wmj n ASP 423 Ca 0.00 1.04 -0.40 0.00 0.71 0.00 0.00 54.79 56.14 2wmj n ASP 423 Cb 0.00 -1.55 0.02 0.00 -0.02 0.00 0.00 41.12 39.57 2wmj n ASP 423 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wmj n LYS 424 N 4.42 1.92 0.21 -1.24 4.76 -1.26 -4.44 118.16 122.52 2wmj n LYS 424 Ca 0.17 0.69 0.10 0.00 -2.87 0.00 0.00 58.31 56.39 2wmj n LYS 424 Cb 0.35 -2.45 0.31 0.00 -1.84 0.00 0.00 35.03 31.40 2wmj n LYS 424 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wmj h ARG 425 N 1.97 0.00 -3.41 1.97 3.08 -1.14 -3.46 114.38 113.39 2wmj h ARG 425 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 2wmj h ARG 425 Cb 1.29 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 2wmj h ARG 425 CO 0.59 0.21 -0.06 -0.98 -1.07 0.00 0.00 179.97 178.66 2wmj s ARG 426 N -3.37 1.17 -0.00 0.04 1.70 -1.26 -5.07 118.95 112.14 2wmj s ARG 426 Ca 0.03 -0.79 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 2wmj s ARG 426 Cb 0.08 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2wmj s ARG 426 CO 0.66 -0.47 0.26 -2.00 -1.08 0.00 0.00 175.30 172.67 2wmj s GLU 427 N -3.84 3.57 -0.14 3.89 2.56 -1.26 -5.07 118.70 118.41 2wmj s GLU 427 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.97 54.93 2wmj s GLU 427 Cb 0.01 -3.09 0.05 0.00 2.00 0.00 0.00 34.13 33.09 2wmj s GLU 427 CO -0.08 0.66 0.02 0.42 -0.56 0.00 0.00 175.26 175.72 2wmj s ILE 428 N -1.27 0.48 0.08 -3.70 1.01 -1.26 -4.85 121.20 111.69 2wmj s ILE 428 Ca 0.26 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 2wmj s ILE 428 Cb -0.13 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.56 2wmj s ILE 428 CO 0.15 0.01 0.61 -0.46 0.00 0.00 0.00 174.94 175.24 2wmj n ASN 429 N 5.09 -0.90 -0.27 3.58 0.23 -0.90 -4.85 115.26 117.24 2wmj n ASN 429 Ca -0.08 -1.43 0.06 0.00 -0.53 0.00 0.00 54.58 52.60 2wmj n ASN 429 Cb 0.48 1.46 0.30 0.00 -2.08 0.00 0.00 39.78 39.94 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 1.10 0.79 1.74 0.53 -1.07 -1.90 -1.31 115.58 115.47 2wmj h ASN 430 Ca -0.14 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.24 2wmj h ASN 430 Cb 0.67 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 2wmj h ASN 430 CO 0.20 0.49 -0.19 -0.33 0.07 0.00 0.00 177.43 177.66 2wmj h GLU 431 N 0.89 0.00 -2.14 4.14 5.08 -1.91 -3.34 114.58 117.30 2wmj h GLU 431 Ca 0.39 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.18 2wmj h GLU 431 Cb 0.34 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.17 2wmj h GLU 431 CO -0.15 0.00 -0.81 0.72 -1.00 0.00 0.00 179.01 177.77 2wmj n HIS 432 N -2.92 2.33 -1.07 4.33 8.25 -0.54 -4.99 115.22 120.60 2wmj n HIS 432 Ca 0.03 -3.93 -0.30 0.00 -0.26 0.00 0.00 57.72 53.27 2wmj n HIS 432 Cb 0.52 -0.47 0.22 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.42 -0.78 -0.07 -0.41 0.04 -0.93 -2.12 135.00 128.32 2wmj s PRO 433 Ca 0.41 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.57 2wmj s PRO 433 Cb 0.21 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 33.15 2wmj s PRO 433 CO -0.07 -3.46 0.00 -1.17 0.04 0.00 0.00 177.00 172.34 2wmj s LEU 434 N -6.83 0.59 -0.34 -3.56 2.96 -0.27 -4.66 118.68 106.57 2wmj s LEU 434 Ca 0.69 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2wmj s LEU 434 Cb -0.13 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.15 2wmj s LEU 434 CO 0.57 -0.19 0.18 -0.22 -1.32 0.00 0.00 176.35 175.36 2wmj s LEU 435 N 1.93 4.43 0.21 -0.68 2.96 0.17 -1.59 118.68 126.12 2wmj s LEU 435 Ca 0.04 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.86 2wmj s LEU 435 Cb -0.12 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 2wmj s LEU 435 CO -0.05 -0.30 1.10 -0.04 -1.32 0.00 0.00 176.35 175.74 2wmj s MET 436 N 1.57 4.61 -0.53 1.98 -1.94 -0.24 -2.58 119.30 122.18 2wmj s MET 436 Ca 0.03 1.74 0.02 0.00 -1.71 0.00 0.00 55.69 55.77 2wmj s MET 436 Cb -0.18 -3.25 0.13 0.00 2.01 0.00 0.00 34.83 33.54 2wmj s MET 436 CO 0.06 0.13 0.28 -1.64 -0.01 0.00 0.00 175.02 173.84 2wmj s MET 437 N -0.73 2.08 0.39 2.03 1.00 -0.23 -4.70 119.30 119.14 2wmj s MET 437 Ca 0.48 -2.51 -0.26 0.00 0.00 0.00 0.00 55.69 53.40 2wmj s MET 437 Cb -0.30 -3.42 -0.09 0.00 0.00 0.00 0.00 34.83 31.02 2wmj s MET 437 CO 0.37 -1.11 1.24 -1.25 0.00 0.00 0.00 175.02 174.27 2wmj s PRO 438 N -0.08 4.05 -0.13 2.03 0.04 -1.26 -1.01 135.00 138.64 2wmj s PRO 438 Ca 0.16 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2wmj s PRO 438 Cb -0.24 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.59 2wmj s PRO 438 CO -0.02 -0.38 0.05 -0.51 0.04 0.00 0.00 177.00 176.18 2wmj s LEU 439 N -2.38 0.59 -0.24 -3.56 1.43 0.55 -4.87 118.68 110.19 2wmj s LEU 439 Ca 0.56 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2wmj s LEU 439 Cb -0.35 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2wmj s LEU 439 CO 0.44 -0.28 0.37 -0.31 0.23 0.00 0.00 176.35 176.80 2wmj s TYR 440 N 2.03 3.29 0.22 0.29 1.51 -1.26 -1.04 117.35 122.39 2wmj s TYR 440 Ca 0.02 0.47 -0.32 0.00 -1.01 0.00 0.00 57.07 56.23 2wmj s TYR 440 Cb -0.15 -2.53 -0.13 0.00 -0.11 0.00 0.00 41.96 39.04 2wmj s TYR 440 CO -0.07 -0.13 1.51 0.00 -1.11 0.00 0.00 175.55 175.76 2wmj n ALA 441 N 4.96 1.51 -2.83 3.71 0.00 0.32 -1.02 120.51 127.16 2wmj n ALA 441 Ca -0.09 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 2wmj n ALA 441 Cb 0.51 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2wmj n ALA 441 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wmj s ASN 442 N 0.60 6.18 0.24 0.00 3.84 -0.33 -3.85 114.94 121.61 2wmj s ASN 442 Ca 0.72 -0.96 0.04 0.00 0.21 0.00 0.00 52.86 52.87 2wmj s ASN 442 Cb -0.63 -2.43 0.27 0.00 -0.55 0.00 0.00 41.25 37.91 2wmj s ASN 442 CO 0.44 -1.47 1.58 1.23 -2.79 0.00 0.00 177.10 176.09 2wmj h GLY 443 N 11.48 0.28 1.02 1.21 0.00 -1.89 -0.95 103.07 114.22 2wmj h GLY 443 Ca -0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2wmj h GLY 443 CO 1.19 0.30 0.31 0.83 0.00 0.00 0.00 176.54 179.17 2wmj h GLU 444 N 0.20 1.03 0.00 4.80 5.08 -1.92 -2.05 114.58 121.72 2wmj h GLU 444 Ca -0.00 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 2wmj h GLU 444 Cb 1.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2wmj h GLU 444 CO 0.09 0.84 -0.76 0.93 -1.00 0.00 0.00 179.01 179.11 2wmj h GLU 445 N 0.99 0.00 -0.97 2.33 5.08 -1.84 -3.00 114.58 117.18 2wmj h GLU 445 Ca 0.24 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2wmj h GLU 445 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2wmj h GLU 445 CO -0.02 0.76 0.64 0.35 -1.00 0.00 0.00 179.01 179.73 2wmj h PHE 446 N 0.00 1.20 -0.14 4.33 3.57 -0.95 -0.45 116.94 124.49 2wmj h PHE 446 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2wmj h PHE 446 Cb 1.42 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2wmj h PHE 446 CO 0.00 0.72 0.21 -0.91 -2.23 0.00 0.00 178.31 176.10 2wmj h ASN 447 N 1.26 0.00 -0.27 0.41 2.35 -1.23 -1.36 115.58 116.75 2wmj h ASN 447 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2wmj h ASN 447 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2wmj h ASN 447 CO -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.68 2wmj n GLN 448 N -3.55 2.10 -0.88 0.81 6.02 -0.27 -4.94 117.38 116.67 2wmj n GLN 448 Ca 0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 2wmj n GLN 448 Cb 0.32 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2wmj n GLN 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wmj n GLY 449 N 1.30 0.53 3.93 1.08 0.00 -0.51 -5.05 105.19 106.47 2wmj n GLY 449 Ca 0.17 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.61 3.50 -0.56 1.61 1.02 -0.68 -5.00 119.74 119.03 2wmj s LYS 450 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.63 2wmj s LYS 450 Cb 0.00 -2.91 0.14 0.00 -0.52 0.00 0.00 37.83 34.54 2wmj s LYS 450 CO 0.00 0.48 0.32 0.71 -0.92 0.00 0.00 175.35 175.94 2wmj s TYR 451 N -1.74 3.26 0.30 3.18 2.02 -1.26 -3.35 117.35 119.76 2wmj s TYR 451 Ca 0.37 -3.05 0.03 0.00 -0.37 0.00 0.00 57.07 54.05 2wmj s TYR 451 Cb -0.12 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 2wmj s TYR 451 CO 0.28 -0.76 0.12 0.95 -1.57 0.00 0.00 175.55 174.56 2wmj s THR 452 N -0.28 0.57 0.04 -0.71 -4.23 -1.26 -5.05 115.64 104.71 2wmj s THR 452 Ca 0.17 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 2wmj s THR 452 Cb -0.24 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 2wmj s THR 452 CO -0.01 0.00 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.48 2wmj s PHE 453 N -3.57 1.96 0.24 3.99 0.08 -1.26 -1.19 117.98 118.23 2wmj s PHE 453 Ca 0.35 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.70 2wmj s PHE 453 Cb 0.06 -1.18 -0.12 0.00 -0.57 0.00 0.00 43.02 41.21 2wmj s PHE 453 CO 0.15 0.08 1.68 -1.58 -0.10 0.00 0.00 175.22 175.46 2wmj s TRP 454 N -0.76 2.85 0.00 0.36 0.52 -0.19 -1.86 118.94 119.85 2wmj s TRP 454 Ca 0.09 0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.69 2wmj s TRP 454 Cb -0.09 -4.12 0.00 0.00 -1.15 0.00 0.00 33.47 28.11 2wmj s TRP 454 CO 0.01 -4.11 0.00 0.41 0.02 0.00 0.00 176.95 173.29 2wmj n GLY 455 N 3.38 0.55 2.42 0.98 0.00 -1.26 -4.55 105.19 106.72 2wmj n GLY 455 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.62 3.72 -0.02 0.00 -0.78 -0.44 105.19 106.29 2wmj n GLY 456 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 4.06 0.18 1.61 1.01 -1.26 -4.06 116.67 115.88 2wmj s ASP 457 Ca 0.00 2.39 0.11 0.00 0.71 0.00 0.00 52.55 55.76 2wmj s ASP 457 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2wmj s ASP 457 CO 0.00 -2.36 -0.22 0.42 0.21 0.00 0.00 175.17 173.22 2wmj s THR 458 N -1.97 2.46 0.12 -1.27 -4.23 -1.26 -4.21 115.64 105.29 2wmj s THR 458 Ca 0.75 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 2wmj s THR 458 Cb -0.30 -2.17 -0.07 0.00 1.34 0.00 0.00 72.50 71.30 2wmj s THR 458 CO 0.46 -0.08 1.75 0.25 -0.54 0.00 0.00 174.62 176.47 2wmj h LEU 459 N 3.28 0.11 -0.10 4.79 6.46 -1.97 0.11 115.31 127.98 2wmj h LEU 459 Ca -0.47 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.24 2wmj h LEU 459 Cb 1.20 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2wmj h LEU 459 CO 0.47 0.09 -0.18 0.74 -0.62 0.00 0.00 178.44 178.94 2wmj h THR 460 N 0.17 1.39 -0.59 1.05 2.02 -1.97 -1.93 112.91 113.05 2wmj h THR 460 Ca 0.07 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.83 2wmj h THR 460 Cb 0.03 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 2wmj h THR 460 CO -0.06 0.42 0.35 1.23 0.37 0.00 0.00 175.52 177.83 2wmj h GLY 461 N -0.14 0.85 0.91 2.16 0.00 -1.96 -1.31 103.07 103.58 2wmj h GLY 461 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2wmj h GLY 461 CO 0.04 0.21 -0.08 1.70 0.00 0.00 0.00 176.54 178.41 2wmj h LYS 462 N 0.69 -0.22 -0.32 4.80 1.63 -0.77 -2.57 116.57 119.81 2wmj h LYS 462 Ca 0.24 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2wmj h LYS 462 Cb 0.05 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2wmj h LYS 462 CO -0.11 -0.07 0.15 2.35 -3.45 0.00 0.00 179.45 178.32 2wmj h TRP 463 N -0.32 0.28 -0.93 1.91 2.91 -1.27 -2.66 115.95 115.87 2wmj h TRP 463 Ca -0.02 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.13 2wmj h TRP 463 Cb 0.25 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.74 2wmj h TRP 463 CO -0.04 0.15 0.60 0.93 -1.03 0.00 0.00 178.44 179.05 2wmj h GLU 464 N 0.32 0.83 0.00 2.65 5.08 -1.17 -1.89 114.58 120.40 2wmj h GLU 464 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2wmj h GLU 464 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2wmj h GLU 464 CO -0.10 0.55 0.00 -0.97 -1.00 0.00 0.00 179.01 177.49 2wmj h ASN 465 N 0.85 0.00 -2.73 1.42 -1.24 -1.12 -3.44 115.58 109.33 2wmj h ASN 465 Ca 0.46 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.92 2wmj h ASN 465 Cb 0.56 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 2wmj h ASN 465 CO -0.22 0.00 0.99 -0.63 -1.29 0.00 0.00 177.43 176.27 2wmj s ILE 466 N -3.58 3.52 0.27 2.57 1.01 -0.71 -4.93 121.20 119.35 2wmj s ILE 466 Ca 0.02 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 2wmj s ILE 466 Cb 0.09 -3.52 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 2wmj s ILE 466 CO 0.54 -0.04 1.08 -2.65 0.00 0.00 0.00 174.94 173.87 2wmj n PRO 467 N 6.24 1.40 -0.29 2.79 -0.02 -1.26 -4.77 135.00 139.09 2wmj n PRO 467 Ca 0.16 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2wmj n PRO 467 Cb 0.43 -1.92 0.35 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.43 0.70 0.11 2.55 3.32 -1.91 -0.52 116.42 123.09 2wmj h ASP 468 Ca -0.41 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 2wmj h ASP 468 Cb 1.33 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wmj h ASP 468 CO 0.63 0.35 -0.04 -2.24 -1.72 0.00 0.00 179.24 176.23 2wmj h ASP 469 N 0.74 0.00 0.49 6.45 2.03 -2.03 -2.87 116.42 121.22 2wmj h ASP 469 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 2wmj h ASP 469 Cb 0.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 2wmj h ASP 469 CO -0.23 0.04 -1.24 0.18 -1.03 0.00 0.00 179.24 176.96 2wmj n LEU 470 N -3.76 0.55 -0.25 0.15 4.77 -0.23 -4.47 117.00 113.75 2wmj n LEU 470 Ca -0.03 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2wmj n LEU 470 Cb 0.13 -0.06 0.37 0.00 -2.33 0.00 0.00 43.42 41.52 2wmj n LEU 470 CO 0.28 -0.03 1.22 0.11 -1.33 0.00 0.00 177.39 177.64 2wmj h LYS 471 N 0.00 0.69 0.00 3.23 1.57 -1.25 0.24 116.57 121.05 2wmj h LYS 471 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wmj h LYS 471 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2wmj h LYS 471 CO 0.00 0.46 0.00 -2.30 -0.57 0.00 0.00 179.45 177.04 2wmj n PRO 472 N -4.54 0.26 0.00 3.15 -0.02 -1.26 -3.37 135.00 129.22 2wmj n PRO 472 Ca 0.16 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2wmj n PRO 472 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.31 0.00 -4.61 6.00 4.01 0.05 -5.01 117.16 116.29 2wmj n TYR 473 Ca 0.09 -0.36 -0.23 0.00 -0.16 0.00 0.00 57.90 57.25 2wmj n TYR 473 Cb 0.17 -0.04 -0.14 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.71 1.28 -0.03 -0.72 -4.23 -1.05 -0.66 115.64 109.52 2wmj s THR 474 Ca 0.00 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 2wmj s THR 474 Cb 0.00 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.75 2wmj s THR 474 CO 0.00 0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.56 2wmj s VAL 475 N -0.59 0.54 -0.00 2.29 1.01 -1.07 -4.86 120.40 117.72 2wmj s VAL 475 Ca 0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 2wmj s VAL 475 Cb -0.07 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 2wmj s VAL 475 CO 0.00 0.20 1.80 -0.63 0.00 0.00 0.00 175.10 176.48 2wmj s ILE 476 N 0.52 3.28 -0.42 2.22 -1.09 -0.87 -1.07 121.20 123.77 2wmj s ILE 476 Ca -0.07 0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.61 2wmj s ILE 476 Cb -0.10 -3.24 0.07 0.00 -1.58 0.00 0.00 42.46 37.61 2wmj s ILE 476 CO 0.00 -0.03 0.28 -1.58 -1.23 0.00 0.00 174.94 172.38 2wmj s GLN 477 N 4.14 2.71 0.21 2.79 0.74 -0.18 -0.28 119.66 129.80 2wmj s GLN 477 Ca 0.81 -1.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 2wmj s GLN 477 Cb -0.38 -3.84 -0.08 0.00 1.10 0.00 0.00 33.01 29.80 2wmj s GLN 477 CO 0.35 -0.93 1.16 -0.51 -0.55 0.00 0.00 175.29 174.82 2wmj s LEU 478 N 1.49 4.48 -0.04 3.68 1.43 -0.64 -0.33 118.68 128.75 2wmj s LEU 478 Ca 0.03 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 2wmj s LEU 478 Cb -0.23 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2wmj s LEU 478 CO 0.04 -0.29 -0.13 -2.28 0.23 0.00 0.00 176.35 173.92 2wmj s HIS 479 N -0.43 1.34 -1.00 0.29 2.46 -0.20 -1.42 115.29 116.33 2wmj s HIS 479 Ca 0.50 -0.39 0.25 0.00 0.47 0.00 0.00 55.06 55.89 2wmj s HIS 479 Cb -0.32 -0.94 1.07 0.00 -0.13 0.00 0.00 32.58 32.26 2wmj s HIS 479 CO 0.38 -0.16 1.80 -0.35 -2.47 0.00 0.00 174.74 173.94 2wmj n PRO 480 N 3.34 0.00 0.00 2.88 -0.04 -1.26 -0.52 135.00 139.40 2wmj n PRO 480 Ca -0.19 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2wmj n PRO 480 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.51 0.00 -1.75 3.54 2.03 -1.26 -1.24 116.55 116.36 2wmj n ASP 481 Ca 0.06 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.20 2wmj n ASP 481 Cb 0.29 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.85 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 1.89 3.93 -4.66 1.67 5.75 -1.25 -4.75 116.55 119.13 2wmj n ASP 482 Ca 0.00 -3.74 -0.40 0.00 -0.01 0.00 0.00 54.79 50.64 2wmj n ASP 482 Cb 0.00 -0.72 0.03 0.00 -1.03 0.00 0.00 41.12 39.40 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 -1.06 3.84 -4.49 -2.12 4.77 -0.37 -4.17 117.00 113.40 2wmj n LEU 483 Ca 0.47 0.97 -0.54 0.00 -0.03 0.00 0.00 56.01 56.88 2wmj n LEU 483 Cb 1.15 -1.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2wmj n LEU 483 CO 0.43 -1.22 0.47 -2.65 -1.33 0.00 0.00 177.39 173.08 2wmj n PRO 484 N -0.45 0.30 -2.59 3.23 -0.02 -1.26 -4.41 135.00 129.79 2wmj n PRO 484 Ca 0.10 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 2wmj n PRO 484 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 1.48 3.50 -3.67 -0.52 5.02 -1.26 -4.49 118.16 118.22 2wmj n LYS 485 Ca 0.18 -3.64 -0.10 0.00 -2.02 0.00 0.00 58.31 52.73 2wmj n LYS 485 Cb 0.16 -2.99 -0.03 0.00 -0.02 0.00 0.00 35.03 32.16 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 0.99 1.46 0.36 1.97 1.70 -1.26 -4.96 118.95 119.21 2wmj s ARG 486 Ca 0.41 -0.77 -0.28 0.00 -0.47 0.00 0.00 55.73 54.62 2wmj s ARG 486 Cb 0.04 0.57 -0.12 0.00 -0.57 0.00 0.00 34.95 34.88 2wmj s ARG 486 CO 0.00 -0.64 1.43 -3.47 -1.08 0.00 0.00 175.30 171.54 2wmj n ASP 487 N -0.39 3.44 0.00 -2.89 2.03 -1.26 -3.54 116.55 113.95 2wmj n ASP 487 Ca -0.11 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2wmj n ASP 487 Cb 0.62 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2wmj n ASP 487 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wmj n GLY 488 N 0.70 3.08 0.19 0.27 0.00 -1.26 -4.92 105.19 103.25 2wmj n GLY 488 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.39 -0.67 4.61 0.00 -1.84 -1.51 119.26 119.46 2wmj h ALA 489 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2wmj h ALA 489 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2wmj h ALA 489 CO 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 179.25 178.72 2wmj h ALA 490 N 0.12 0.89 -0.57 0.00 0.00 -1.82 -1.80 119.26 116.07 2wmj h ALA 490 Ca -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2wmj h ALA 490 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2wmj h ALA 490 CO 0.07 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.34 2wmj h ARG 491 N 1.04 0.72 0.35 0.00 3.08 -1.80 -0.73 114.38 117.04 2wmj h ARG 491 Ca 0.20 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2wmj h ARG 491 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wmj h ARG 491 CO 0.01 0.48 -0.17 0.22 -1.07 0.00 0.00 179.97 179.44 2wmj h ASP 492 N 0.74 -0.40 -0.39 7.04 3.58 -1.16 0.23 116.42 126.06 2wmj h ASP 492 Ca 0.22 -0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.64 2wmj h ASP 492 Cb -0.05 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2wmj h ASP 492 CO -0.07 -0.19 0.18 0.15 -2.88 0.00 0.00 179.24 176.43 2wmj h PHE 493 N -0.59 0.34 -0.37 0.28 3.57 -1.30 -2.22 116.94 116.65 2wmj h PHE 493 Ca -0.05 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2wmj h PHE 493 Cb 0.43 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2wmj h PHE 493 CO -0.02 0.17 -0.12 1.88 -2.23 0.00 0.00 178.31 177.99 2wmj h TYR 494 N 0.38 0.83 -0.27 0.41 0.05 -1.02 -2.03 116.97 115.32 2wmj h TYR 494 Ca 0.17 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2wmj h TYR 494 Cb 0.09 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 2wmj h TYR 494 CO -0.11 0.89 -0.08 0.93 -1.05 0.00 0.00 178.16 178.74 2wmj h GLU 495 N 0.52 0.44 -0.25 4.88 5.08 -0.89 0.16 114.58 124.52 2wmj h GLU 495 Ca 0.09 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wmj h GLU 495 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2wmj h GLU 495 CO 0.04 0.53 0.15 1.25 -1.00 0.00 0.00 179.01 179.98 2wmj h HIS 496 N 0.41 0.33 -0.00 4.33 2.76 -1.19 -2.22 115.15 119.56 2wmj h HIS 496 Ca 0.08 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.08 2wmj h HIS 496 Cb 0.41 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2wmj h HIS 496 CO 0.01 0.25 -0.80 0.52 -1.30 0.00 0.00 177.93 176.61 2wmj h MET 497 N 0.30 0.03 -0.64 5.26 2.86 -0.81 -1.94 114.93 119.99 2wmj h MET 497 Ca 0.09 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2wmj h MET 497 Cb 0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2wmj h MET 497 CO -0.02 0.81 0.06 -0.07 1.06 0.00 0.00 176.91 178.76 2wmj h LEU 498 N 0.02 1.05 -0.18 1.22 3.38 -0.73 -0.31 115.31 119.76 2wmj h LEU 498 Ca -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2wmj h LEU 498 Cb 1.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2wmj h LEU 498 CO 0.11 1.07 0.11 -0.33 0.09 0.00 0.00 178.44 179.49 2wmj h GLU 499 N 1.01 0.25 -0.37 1.13 4.39 -1.29 0.22 114.58 119.91 2wmj h GLU 499 Ca 0.19 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.90 2wmj h GLU 499 Cb 0.50 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2wmj h GLU 499 CO 0.02 0.21 0.18 1.49 -1.16 0.00 0.00 179.01 179.75 2wmj h GLU 500 N 0.22 0.36 -0.45 2.33 4.81 -1.21 -1.87 114.58 118.77 2wmj h GLU 500 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2wmj h GLU 500 Cb 0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2wmj h GLU 500 CO -0.01 0.24 0.29 0.00 -0.73 0.00 0.00 179.01 178.79 2wmj h ALA 501 N 1.20 0.58 -0.21 2.92 0.00 -0.90 -2.77 119.26 120.08 2wmj h ALA 501 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2wmj h ALA 501 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wmj h ALA 501 CO -0.12 0.05 -0.19 0.00 0.00 0.00 0.00 179.25 178.99 2wmj h ALA 502 N 1.14 1.29 -0.01 0.00 0.00 -0.71 0.02 119.26 120.99 2wmj h ALA 502 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wmj h ALA 502 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wmj h ALA 502 CO -0.03 0.47 -0.20 1.63 0.00 0.00 0.00 179.25 181.12 2wmj n LYS 503 N -4.18 1.21 -1.65 0.00 5.02 -0.72 -4.33 118.16 113.50 2wmj n LYS 503 Ca -0.00 -0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 55.07 2wmj n LYS 503 Cb 0.34 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2wmj n LYS 503 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wmj n TYR 504 N -0.21 1.86 -4.00 2.13 9.36 -1.06 -4.90 117.16 120.35 2wmj n TYR 504 Ca 0.14 0.61 -0.30 0.00 3.32 0.00 0.00 57.90 61.66 2wmj n TYR 504 Cb 0.38 -2.34 -0.16 0.00 -0.63 0.00 0.00 39.34 36.59 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 -1.09 1.64 -0.32 2.97 1.01 -1.26 -1.93 120.40 121.42 2wmj s VAL 505 Ca 0.57 -0.95 -0.34 0.00 0.00 0.00 0.00 61.98 61.27 2wmj s VAL 505 Cb -0.62 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 2wmj s VAL 505 CO 0.61 0.22 2.20 -3.20 0.00 0.00 0.00 175.10 174.93 2wmj n ASN 506 N 4.70 2.38 0.00 3.32 2.85 -1.00 -4.83 115.26 122.67 2wmj n ASN 506 Ca -0.15 0.36 0.05 0.00 -0.11 0.00 0.00 54.58 54.72 2wmj n ASN 506 Cb 0.47 -1.33 0.27 0.00 1.24 0.00 0.00 39.78 40.43 2wmj n ASN 506 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2wmj n PRO 507 N 8.33 0.97 -0.11 1.20 -0.04 -1.26 0.13 135.00 144.22 2wmj n PRO 507 Ca 0.39 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.62 2wmj n PRO 507 Cb 0.28 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 2wmj n PRO 507 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wmj n LYS 508 N -0.65 0.63 0.06 0.54 5.02 -1.26 -4.56 118.16 117.94 2wmj n LYS 508 Ca 0.07 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 2wmj n LYS 508 Cb 0.03 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.49 2wmj n LYS 508 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wmj n THR 509 N -3.83 0.34 -0.93 -0.18 -2.24 -1.03 -4.97 114.28 101.44 2wmj n THR 509 Ca -0.44 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2wmj n THR 509 Cb 0.91 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.29 0.14 3.91 3.38 0.00 0.34 -5.00 105.19 109.26 2wmj n GLY 510 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2wmj n GLY 510 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmj s LYS 511 N -1.40 3.46 -0.32 1.61 -2.85 -1.24 -4.84 119.74 114.15 2wmj s LYS 511 Ca 0.00 -0.35 -0.28 0.00 -1.00 0.00 0.00 55.97 54.34 2wmj s LYS 511 Cb 0.00 -3.04 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 2wmj s LYS 511 CO 0.00 0.62 2.09 1.21 0.10 0.00 0.00 175.35 179.37 2wmj s ASN 512 N -2.28 5.43 -0.51 0.03 2.47 -1.26 -2.37 114.94 116.46 2wmj s ASN 512 Ca 0.33 1.48 0.04 0.00 0.42 0.00 0.00 52.86 55.12 2wmj s ASN 512 Cb -0.13 -2.52 0.13 0.00 -1.45 0.00 0.00 41.25 37.29 2wmj s ASN 512 CO 0.24 -2.04 0.25 -1.61 -3.72 0.00 0.00 177.10 170.22 2wmj s GLU 513 N 6.45 1.91 0.11 0.43 2.02 -0.81 -4.98 118.70 123.83 2wmj s GLU 513 Ca 0.91 -2.55 -0.35 0.00 0.02 0.00 0.00 54.97 52.99 2wmj s GLU 513 Cb -0.26 -3.25 -0.17 0.00 0.10 0.00 0.00 34.13 30.56 2wmj s GLU 513 CO 0.32 -1.11 1.22 -2.30 0.02 0.00 0.00 175.26 173.42 2wmj n PRO 514 N 3.18 0.99 -2.72 0.39 -0.02 -1.26 -4.64 135.00 130.93 2wmj n PRO 514 Ca 0.05 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 2wmj n PRO 514 Cb 0.33 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 0.14 4.84 0.24 4.25 1.01 -0.02 -4.97 121.20 126.70 2wmj s ILE 515 Ca 0.81 2.03 -0.30 0.00 0.00 0.00 0.00 60.65 63.18 2wmj s ILE 515 Cb -0.95 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.12 2wmj s ILE 515 CO 0.50 0.10 1.26 -2.16 0.00 0.00 0.00 174.94 174.64 2wmj s PRO 516 N 1.43 4.44 0.03 2.79 0.04 -1.26 -4.71 135.00 137.76 2wmj s PRO 516 Ca 0.50 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.61 2wmj s PRO 516 Cb -0.20 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2wmj s PRO 516 CO 0.23 -0.14 -0.15 0.08 0.04 0.00 0.00 177.00 177.06 2wmj s VAL 517 N -0.37 1.18 -0.05 -0.36 1.01 -0.02 -2.04 120.40 119.74 2wmj s VAL 517 Ca 0.53 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2wmj s VAL 517 Cb -0.36 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2wmj s VAL 517 CO 0.41 0.07 -0.22 -0.63 0.00 0.00 0.00 175.10 174.73 2wmj s ILE 518 N -0.78 1.81 -0.17 2.22 1.01 0.61 -0.75 121.20 125.14 2wmj s ILE 518 Ca 0.03 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2wmj s ILE 518 Cb -0.08 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 2wmj s ILE 518 CO 0.01 0.51 0.12 -0.76 0.00 0.00 0.00 174.94 174.82 2wmj s LEU 519 N -0.06 4.19 -0.36 2.97 1.43 -0.85 -1.62 118.68 124.39 2wmj s LEU 519 Ca -0.04 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 2wmj s LEU 519 Cb -0.13 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2wmj s LEU 519 CO 0.03 0.26 1.38 -0.89 0.23 0.00 0.00 176.35 177.36 2wmj s THR 520 N -0.10 3.98 -0.34 5.49 2.01 -0.51 0.29 115.64 126.45 2wmj s THR 520 Ca 0.10 1.05 0.11 0.00 0.31 0.00 0.00 61.69 63.26 2wmj s THR 520 Cb -0.11 -4.16 -0.14 0.00 0.01 0.00 0.00 72.50 68.09 2wmj s THR 520 CO 0.00 -0.63 0.40 1.33 -0.69 0.00 0.00 174.62 175.03 2wmj n VAL 521 N 6.71 0.00 -3.69 3.82 0.24 -0.38 -4.72 118.33 120.32 2wmj n VAL 521 Ca 0.16 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2wmj n VAL 521 Cb 0.47 0.73 -0.11 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.32 -0.59 -0.11 6.34 5.04 -1.19 -4.71 117.35 119.81 2wmj s TYR 522 Ca 0.01 1.25 -0.30 0.00 -2.44 0.00 0.00 57.07 55.59 2wmj s TYR 522 Cb 0.08 0.24 0.12 0.00 0.35 0.00 0.00 41.96 42.74 2wmj s TYR 522 CO 0.47 -0.35 0.95 -0.08 -1.34 0.00 0.00 175.55 175.19 2wmj s THR 523 N 1.58 0.00 -1.61 4.34 -1.32 -1.26 -1.76 115.64 115.61 2wmj s THR 523 Ca -0.08 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.29 2wmj s THR 523 Cb -0.09 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.99 2wmj s THR 523 CO -0.12 0.00 0.57 0.00 -2.21 0.00 0.00 174.62 172.86 2wmj n ALA 524 N 0.50 -1.58 -1.38 11.08 0.00 -0.90 -0.53 120.51 127.70 2wmj n ALA 524 Ca -0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 2wmj n ALA 524 Cb 0.59 -2.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.70 1.36 2.81 0.00 0.00 -1.25 -2.24 105.19 104.16 2wmj n GLY 525 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.91 -3.45 -4.75 1.61 5.03 0.31 -4.74 115.26 108.37 2wmj n ASN 526 Ca -0.14 0.01 -0.41 0.00 0.87 0.00 0.00 54.58 54.90 2wmj n ASN 526 Cb 0.55 -2.92 -0.02 0.00 -1.02 0.00 0.00 39.78 36.37 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 -5.41 4.31 0.60 3.52 -1.94 -0.95 -4.46 119.30 114.96 2wmj s MET 527 Ca 0.15 2.23 0.37 0.00 -1.71 0.00 0.00 55.69 56.74 2wmj s MET 527 Cb -0.08 -3.13 1.86 0.00 2.01 0.00 0.00 34.83 35.49 2wmj s MET 527 CO 0.19 -0.35 2.18 -1.00 -0.01 0.00 0.00 175.02 176.03 2wmj h PRO 528 N 4.94 0.00 0.00 2.03 0.13 -1.92 0.11 132.00 137.29 2wmj h PRO 528 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wmj h PRO 528 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wmj h PRO 528 CO 0.76 0.03 0.00 2.48 -0.23 0.00 0.00 178.00 181.04 2wmj n TYR 529 N -3.22 0.52 -0.06 1.56 0.18 -1.26 -4.34 117.16 110.54 2wmj n TYR 529 Ca -0.02 0.16 -0.07 0.00 1.88 0.00 0.00 57.90 59.85 2wmj n TYR 529 Cb 0.18 -0.76 -0.08 0.00 -0.38 0.00 0.00 39.34 38.30 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 -1.93 0.00 -3.79 -3.48 4.01 0.33 -5.07 117.16 107.23 2wmj n TYR 530 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 2wmj n TYR 530 Cb 0.37 -0.58 -0.11 0.00 -0.31 0.00 0.00 39.34 38.71 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 -2.29 0.02 0.40 -0.72 -1.32 -0.78 -4.99 115.64 105.96 2wmj s THR 531 Ca -0.10 -0.13 0.39 0.00 -1.21 0.00 0.00 61.69 60.63 2wmj s THR 531 Cb 0.04 -0.42 0.40 0.00 -1.51 0.00 0.00 72.50 71.01 2wmj s THR 531 CO 0.44 -0.07 2.18 0.77 -2.21 0.00 0.00 174.62 175.73 2wmj h SER 532 N 5.33 0.00 0.45 8.08 4.64 -1.79 -2.98 113.55 127.27 2wmj h SER 532 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2wmj h SER 532 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wmj h SER 532 CO 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2wmj h ALA 533 N 2.01 1.00 -1.01 5.18 0.00 -1.92 -2.41 119.26 122.11 2wmj h ALA 533 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2wmj h ALA 533 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 2wmj h ALA 533 CO 0.00 0.00 0.66 1.25 0.00 0.00 0.00 179.25 181.16 2wmj h HIS 534 N 0.00 0.61 -1.64 0.00 6.17 -1.74 -2.70 115.15 115.85 2wmj h HIS 534 Ca 0.00 0.02 -0.73 0.00 0.71 0.00 0.00 60.37 60.37 2wmj h HIS 534 Cb 0.22 -0.18 -0.29 0.00 2.52 0.00 0.00 27.41 29.69 2wmj h HIS 534 CO 0.00 0.08 0.89 0.91 0.71 0.00 0.00 177.93 180.52 2wmj n TRP 535 N -4.58 3.07 -3.84 5.26 8.01 -0.91 -4.72 117.44 119.73 2wmj n TRP 535 Ca 0.24 -2.58 -0.30 0.00 -1.31 0.00 0.00 57.50 53.55 2wmj n TRP 535 Cb 0.84 -1.21 -0.14 0.00 -2.01 0.00 0.00 31.31 28.80 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 -3.97 3.42 0.64 -0.99 1.43 -1.02 -4.60 118.68 113.59 2wmj s LEU 536 Ca 0.56 -2.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.18 2wmj s LEU 536 Cb 0.46 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2wmj s LEU 536 CO -0.27 -0.33 1.07 -0.94 0.23 0.00 0.00 176.35 176.11 2wmj s SER 537 N 0.68 5.52 0.41 2.29 1.04 -1.26 -4.90 113.70 117.48 2wmj s SER 537 Ca 0.14 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.44 2wmj s SER 537 Cb -0.22 -2.53 0.87 0.00 0.10 0.00 0.00 66.02 64.25 2wmj s SER 537 CO -0.08 -1.34 2.04 0.74 0.98 0.00 0.00 173.24 175.58 2wmj h THR 538 N 0.01 1.11 -0.08 2.02 2.02 -1.99 -1.64 112.91 114.37 2wmj h THR 538 Ca -0.46 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.47 2wmj h THR 538 Cb 1.22 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2wmj h THR 538 CO 0.56 0.12 -0.06 0.28 0.37 0.00 0.00 175.52 176.79 2wmj h SER 539 N 0.47 -0.19 -0.60 4.18 0.02 -1.99 -0.91 113.55 114.53 2wmj h SER 539 Ca 0.12 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2wmj h SER 539 Cb 0.01 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2wmj h SER 539 CO -0.02 -0.08 0.38 -0.25 -1.14 0.00 0.00 176.83 175.71 2wmj h TRP 540 N -0.07 0.77 0.09 3.45 7.01 -1.82 -1.12 115.95 124.26 2wmj h TRP 540 Ca 0.05 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2wmj h TRP 540 Cb 0.14 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2wmj h TRP 540 CO -0.17 0.51 -0.06 0.82 -2.79 0.00 0.00 178.44 176.75 2wmj h ILE 541 N 0.81 0.87 -0.58 2.65 2.04 -1.10 0.71 117.51 122.90 2wmj h ILE 541 Ca 0.22 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.16 2wmj h ILE 541 Cb -0.05 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 2wmj h ILE 541 CO -0.04 0.00 0.21 -0.78 0.00 0.00 0.00 178.15 177.54 2wmj h ASP 542 N -0.15 0.20 -0.85 1.72 3.58 -1.04 -0.83 116.42 119.06 2wmj h ASP 542 Ca -0.00 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.57 2wmj h ASP 542 Cb 0.13 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 2wmj h ASP 542 CO 0.00 0.13 0.53 0.50 -2.88 0.00 0.00 179.24 177.52 2wmj h LYS 543 N 0.39 0.97 -0.49 0.28 3.64 -0.77 -1.73 116.57 118.85 2wmj h LYS 543 Ca 0.29 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 2wmj h LYS 543 Cb 0.35 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2wmj h LYS 543 CO -0.30 0.64 0.00 0.52 -2.27 0.00 0.00 179.45 178.05 2wmj h MET 544 N 0.99 0.87 -0.93 1.90 2.86 0.05 -1.21 114.93 119.46 2wmj h MET 544 Ca 0.36 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wmj h MET 544 Cb 0.11 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 2wmj h MET 544 CO -0.15 0.90 0.61 1.88 1.06 0.00 0.00 176.91 181.21 2wmj h TYR 545 N 0.73 1.18 -0.06 -0.22 0.99 -0.89 -0.29 116.97 118.41 2wmj h TYR 545 Ca 0.14 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.75 2wmj h TYR 545 Cb 0.51 -0.40 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 2wmj h TYR 545 CO 0.04 0.75 -0.62 1.96 -0.00 0.00 0.00 178.16 180.29 2wmj h GLN 546 N 1.27 0.20 0.07 4.88 4.20 -1.21 -3.23 115.11 121.29 2wmj h GLN 546 Ca 0.34 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.66 2wmj h GLN 546 Cb -0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2wmj h GLN 546 CO -0.07 0.76 -1.12 -0.22 -0.67 0.00 0.00 178.83 177.51 2wmj h LYS 547 N 0.15 0.15 -4.19 1.46 3.64 -0.89 -3.44 116.57 113.46 2wmj h LYS 547 Ca -0.01 -0.25 -0.64 0.00 -1.27 0.00 0.00 60.65 58.48 2wmj h LYS 547 Cb 1.13 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 2wmj h LYS 547 CO 0.09 1.11 -0.72 0.71 -2.27 0.00 0.00 179.45 178.38 2wmj s TYR 548 N -2.72 3.18 0.58 1.91 2.02 -0.15 -4.96 117.35 117.23 2wmj s TYR 548 Ca -0.02 -2.76 0.31 0.00 -0.37 0.00 0.00 57.07 54.24 2wmj s TYR 548 Cb 0.08 -2.62 1.85 0.00 -0.40 0.00 0.00 41.96 40.87 2wmj s TYR 548 CO 0.85 -0.90 2.25 -1.35 -1.57 0.00 0.00 175.55 174.84 2wmj h PRO 549 N 7.49 0.00 0.00 -1.71 0.11 -1.86 -1.33 132.00 134.70 2wmj h PRO 549 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wmj h PRO 549 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wmj h PRO 549 CO 0.53 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 2wmj n ASN 550 N -3.76 0.00 -4.58 -2.05 6.94 -1.26 -4.61 115.26 105.94 2wmj n ASN 550 Ca -0.03 0.41 -0.42 0.00 -0.02 0.00 0.00 54.58 54.52 2wmj n ASN 550 Cb 0.09 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 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 -2.93 3.44 0.01 -4.53 2.96 -0.50 -0.85 118.68 116.28 2wmj s LEU 551 Ca 0.13 0.49 0.22 0.00 -0.22 0.00 0.00 54.13 54.75 2wmj s LEU 551 Cb 0.16 -3.16 -0.13 0.00 0.50 0.00 0.00 46.19 43.56 2wmj s LEU 551 CO 0.43 -1.70 0.88 1.41 -1.32 0.00 0.00 176.35 176.05 2wmj n HIS 552 N 9.70 0.08 0.00 5.38 8.25 0.07 -4.89 115.22 133.81 2wmj n HIS 552 Ca 0.15 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2wmj n HIS 552 Cb 0.49 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2wmj n HIS 552 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wmj n GLY 553 N 1.41 -0.46 3.00 -1.41 0.00 -1.23 -1.41 105.19 105.09 2wmj n GLY 553 Ca 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2wmj n GLY 553 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wmj s ILE 554 N -2.00 0.21 -0.05 -0.61 -4.36 -0.37 -2.00 121.20 112.02 2wmj s ILE 554 Ca 0.00 -0.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.42 2wmj s ILE 554 Cb 0.00 -0.39 0.02 0.00 1.25 0.00 0.00 42.46 43.34 2wmj s ILE 554 CO 0.00 -0.49 -0.08 0.12 0.24 0.00 0.00 174.94 174.72 2wmj s PHE 555 N -1.54 1.05 -0.07 1.37 5.36 0.14 -0.89 117.98 123.40 2wmj s PHE 555 Ca -0.14 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.53 2wmj s PHE 555 Cb -0.09 -0.82 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 2wmj s PHE 555 CO -0.01 -0.21 -0.14 0.45 -1.46 0.00 0.00 175.22 173.85 2wmj s SER 556 N 0.70 4.00 -0.18 6.13 0.15 0.50 -1.24 113.70 123.77 2wmj s SER 556 Ca -0.12 -0.23 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 2wmj s SER 556 Cb -0.14 -1.00 0.06 0.00 -1.71 0.00 0.00 66.02 63.23 2wmj s SER 556 CO 0.02 0.31 0.42 0.28 1.20 0.00 0.00 173.24 175.46 2wmj s THR 557 N -0.51 -0.11 -0.42 6.45 -1.32 -0.72 -0.86 115.64 118.15 2wmj s THR 557 Ca 0.07 0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 60.49 2wmj s THR 557 Cb -0.12 -0.62 0.02 0.00 -1.51 0.00 0.00 72.50 70.27 2wmj s THR 557 CO 0.02 0.04 0.56 1.21 -2.21 0.00 0.00 174.62 174.24 2wmj n GLU 558 N 4.43 -2.45 0.00 7.08 2.13 -0.89 -3.92 120.64 127.03 2wmj n GLU 558 Ca -0.21 2.15 0.00 0.00 0.66 0.00 0.00 57.16 59.76 2wmj n GLU 558 Cb 0.54 -5.56 0.00 0.00 0.27 0.00 0.00 31.44 26.69 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 -0.23 0.61 0.20 4.31 3.02 -1.26 -2.13 115.26 119.79 2wmj n ASN 559 Ca 0.11 -0.85 0.12 0.00 -0.03 0.00 0.00 54.58 53.92 2wmj n ASN 559 Cb 0.44 0.20 0.70 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.00 -0.01 3.10 -0.00 -1.89 -1.14 116.97 117.03 2wmj h TYR 560 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wmj h TYR 560 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.80 2wmj h TYR 560 CO 0.00 0.00 -0.17 -2.67 -0.00 0.00 0.00 178.16 175.32 2wmj n TRP 561 N -4.37 0.00 -2.96 0.10 4.27 -1.26 -4.45 117.44 108.77 2wmj n TRP 561 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 2wmj n TRP 561 Cb 0.22 -0.07 -0.01 0.00 -1.36 0.00 0.00 31.31 30.09 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 -0.30 -0.33 -2.60 -1.67 0.13 -0.44 -5.08 119.36 109.07 2wmj n ILE 562 Ca 0.14 -2.73 -0.42 0.00 -1.10 0.00 0.00 62.75 58.64 2wmj n ILE 562 Cb 0.36 -0.15 -0.02 0.00 -0.84 0.00 0.00 39.64 38.99 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 -0.25 2.69 0.70 9.51 -0.11 -1.17 -3.90 118.94 126.42 2wmj s TRP 563 Ca 0.33 -1.22 -0.17 0.00 1.22 0.00 0.00 56.10 56.26 2wmj s TRP 563 Cb 0.21 -4.69 0.01 0.00 -1.50 0.00 0.00 33.47 27.50 2wmj s TRP 563 CO -0.18 -1.85 1.23 0.00 -4.62 0.00 0.00 176.95 171.54 2wmj n ALA 564 N 8.46 0.70 0.20 5.86 0.00 -1.26 -4.88 120.51 129.59 2wmj n ALA 564 Ca 0.39 -0.10 0.17 0.00 0.00 0.00 0.00 53.44 53.90 2wmj n ALA 564 Cb 0.49 -2.28 0.83 0.00 0.00 0.00 0.00 19.45 18.48 2wmj n ALA 564 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wmj h ASN 565 N 0.08 0.00 -0.02 0.00 2.35 -1.94 -2.23 115.58 113.82 2wmj h ASN 565 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2wmj h ASN 565 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2wmj h ASN 565 CO 0.51 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.39 2wmj n ASP 566 N -3.81 2.29 -0.34 5.81 5.75 -1.26 -4.80 116.55 120.18 2wmj n ASP 566 Ca 0.02 -2.61 0.08 0.00 -0.01 0.00 0.00 54.79 52.26 2wmj n ASP 566 Cb 0.33 -0.25 0.24 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.13 0.85 -0.14 2.12 2.10 -1.75 0.00 117.51 120.83 2wmj h ILE 567 Ca 0.00 -0.30 -0.14 0.00 1.08 0.00 0.00 64.86 65.50 2wmj h ILE 567 Cb 0.81 -0.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 2wmj h ILE 567 CO 0.01 0.16 -0.44 -0.33 -1.08 0.00 0.00 178.15 176.47 2wmj h GLU 568 N 0.87 0.55 -0.61 2.19 3.07 -1.87 -1.47 114.58 117.31 2wmj h GLU 568 Ca 0.49 -0.40 0.08 0.00 -0.50 0.00 0.00 59.36 59.03 2wmj h GLU 568 Cb 0.57 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.48 2wmj h GLU 568 CO -0.30 1.02 0.27 -0.91 -1.40 0.00 0.00 179.01 177.70 2wmj h ASN 569 N 0.17 0.34 -0.27 1.42 2.35 -1.85 -1.42 115.58 116.32 2wmj h ASN 569 Ca -0.02 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2wmj h ASN 569 Cb 1.06 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2wmj h ASN 569 CO 0.09 0.21 -0.42 0.11 -1.65 0.00 0.00 177.43 175.77 2wmj h LYS 570 N 0.50 0.82 -0.46 0.81 1.79 -0.94 -2.72 116.57 116.36 2wmj h LYS 570 Ca 0.30 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2wmj h LYS 570 Cb 0.30 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2wmj h LYS 570 CO -0.25 1.08 0.28 0.00 -1.08 0.00 0.00 179.45 179.48 2wmj h ALA 571 N 0.85 0.58 -0.61 3.86 0.00 -1.06 -0.92 119.26 121.97 2wmj h ALA 571 Ca 0.05 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2wmj h ALA 571 Cb 0.99 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2wmj h ALA 571 CO 0.10 0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.45 2wmj h ALA 572 N 1.13 0.64 -0.26 0.00 0.00 -1.23 -1.16 119.26 118.38 2wmj h ALA 572 Ca 0.16 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2wmj h ALA 572 Cb -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wmj h ALA 572 CO -0.03 -0.37 -0.32 -0.44 0.00 0.00 0.00 179.25 178.09 2wmj h ASP 573 N 0.15 0.57 -0.57 0.00 3.32 -1.00 -0.02 116.42 118.87 2wmj h ASP 573 Ca 0.32 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2wmj h ASP 573 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2wmj h ASP 573 CO -0.49 0.85 0.01 1.88 -1.72 0.00 0.00 179.24 179.78 2wmj h TYR 574 N 0.47 1.08 -0.45 4.55 0.05 -0.94 -1.36 116.97 120.37 2wmj h TYR 574 Ca 0.06 -0.18 -0.11 0.00 0.05 0.00 0.00 58.73 58.54 2wmj h TYR 574 Cb 0.78 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2wmj h TYR 574 CO 0.03 0.97 -0.16 1.25 -1.05 0.00 0.00 178.16 179.19 2wmj h LEU 575 N 0.88 0.93 -0.24 3.88 5.85 -0.93 -2.22 115.31 123.46 2wmj h LEU 575 Ca 0.16 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 2wmj h LEU 575 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wmj h LEU 575 CO 0.03 1.10 0.02 0.50 -0.34 0.00 0.00 178.44 179.75 2wmj h LYS 576 N 0.75 0.42 -0.09 1.25 3.64 -0.98 -0.95 116.57 120.61 2wmj h LYS 576 Ca 0.11 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2wmj h LYS 576 Cb 0.73 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2wmj h LYS 576 CO 0.06 0.58 -0.23 -0.24 -2.27 0.00 0.00 179.45 177.34 2wmj h VAL 577 N 0.20 1.21 -0.07 2.00 3.04 -1.28 -1.08 116.25 120.27 2wmj h VAL 577 Ca 0.07 -0.96 -0.06 0.00 -1.01 0.00 0.00 66.70 64.74 2wmj h VAL 577 Cb 0.38 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2wmj h VAL 577 CO 0.01 0.29 -0.19 0.28 -1.01 0.00 0.00 177.57 176.94 2wmj h SER 578 N 0.14 0.30 -0.66 3.17 0.02 -1.20 -3.06 113.55 112.26 2wmj h SER 578 Ca 0.02 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2wmj h SER 578 Cb 0.48 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2wmj h SER 578 CO 0.03 0.84 0.40 0.00 -1.14 0.00 0.00 176.83 176.96 2wmj h ALA 579 N 0.47 1.44 0.00 3.77 0.00 -1.00 0.12 119.26 124.06 2wmj h ALA 579 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wmj h ALA 579 Cb 0.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wmj h ALA 579 CO 0.04 0.48 -0.06 -0.22 0.00 0.00 0.00 179.25 179.49 2wmj h LYS 580 N 0.92 0.00 -0.24 0.00 3.64 -1.17 -2.70 116.57 117.02 2wmj h LYS 580 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2wmj h LYS 580 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wmj h LYS 580 CO -0.04 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.29 2wmj n ASN 581 N -4.00 2.82 -0.84 4.20 4.13 -0.68 -4.93 115.26 115.95 2wmj n ASN 581 Ca -0.03 -2.18 -0.11 0.00 1.68 0.00 0.00 54.58 53.94 2wmj n ASN 581 Cb 0.15 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.11 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 0.06 1.14 4.00 7.41 0.00 -0.68 -4.79 105.19 112.33 2wmj n GLY 582 Ca 0.10 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2wmj n GLY 582 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmj s GLY 583 N -2.56 1.78 -0.09 -0.02 0.00 0.34 -0.57 107.32 106.20 2wmj s GLY 583 Ca 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 42.99 2wmj s GLY 583 CO 0.00 -1.26 -0.07 -0.19 0.00 0.00 0.00 173.10 171.58 2wmj s TYR 584 N -2.92 2.95 -0.27 1.90 2.02 -0.50 -3.94 117.35 116.59 2wmj s TYR 584 Ca 0.63 -0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 57.03 2wmj s TYR 584 Cb -0.07 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2wmj s TYR 584 CO 0.41 0.19 0.51 0.12 -1.57 0.00 0.00 175.55 175.21 2wmj s PHE 585 N -0.42 3.26 -0.16 2.71 5.36 -0.22 -1.24 117.98 127.28 2wmj s PHE 585 Ca 0.06 0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 56.60 2wmj s PHE 585 Cb -0.12 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.81 2wmj s PHE 585 CO 0.02 -0.29 -0.05 0.42 -1.46 0.00 0.00 175.22 173.86 2wmj s ILE 586 N 2.30 3.76 -0.17 3.12 -1.09 -0.07 -0.76 121.20 128.28 2wmj s ILE 586 Ca 0.21 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 2wmj s ILE 586 Cb -0.16 -2.64 0.05 0.00 -1.58 0.00 0.00 42.46 38.13 2wmj s ILE 586 CO 0.09 0.49 -0.03 0.86 -1.23 0.00 0.00 174.94 175.13 2wmj s TRP 587 N 0.43 1.54 -0.28 3.97 -0.11 -0.40 -0.37 118.94 123.72 2wmj s TRP 587 Ca -0.05 -1.03 -0.12 0.00 1.22 0.00 0.00 56.10 56.12 2wmj s TRP 587 Cb -0.14 -1.24 -0.05 0.00 -1.50 0.00 0.00 33.47 30.54 2wmj s TRP 587 CO 0.03 -0.61 0.24 0.00 -4.62 0.00 0.00 176.95 172.00 2wmj s ALA 588 N 1.69 3.54 -0.02 5.86 0.00 -0.04 -0.97 121.76 131.82 2wmj s ALA 588 Ca -0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2wmj s ALA 588 Cb -0.16 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.44 2wmj s ALA 588 CO -0.07 -0.57 0.32 -2.00 0.00 0.00 0.00 175.76 173.43 2wmj s GLU 589 N 1.84 0.66 0.09 0.00 2.56 -0.50 -2.09 118.70 121.26 2wmj s GLU 589 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 54.97 54.99 2wmj s GLU 589 Cb -0.16 0.30 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 2wmj s GLU 589 CO 0.11 -0.18 -0.11 -1.14 -0.56 0.00 0.00 175.26 173.38 2wmj s GLN 590 N -1.23 2.16 0.00 4.30 2.00 -1.26 -2.78 119.66 122.85 2wmj s GLN 590 Ca -0.13 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.25 2wmj s GLN 590 Cb -0.05 -2.31 0.00 0.00 0.80 0.00 0.00 33.01 31.45 2wmj s GLN 590 CO 0.04 0.52 0.71 -1.71 -0.50 0.00 0.00 175.29 174.36 2wmj n ASN 591 N 0.90 2.14 -4.77 6.67 5.15 -1.26 -4.41 115.26 119.67 2wmj n ASN 591 Ca -0.14 -1.42 -0.41 0.00 -0.60 0.00 0.00 54.58 52.01 2wmj n ASN 591 Cb 0.52 -0.36 -0.02 0.00 -0.53 0.00 0.00 39.78 39.40 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 1.00 6.72 -1.40 1.20 -0.87 -1.26 -2.52 114.94 117.80 2wmj s ASN 592 Ca 0.00 2.72 -0.10 0.00 -1.57 0.00 0.00 52.86 53.91 2wmj s ASN 592 Cb 0.00 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.65 2wmj s ASN 592 CO 0.00 -0.59 0.62 0.61 -2.57 0.00 0.00 177.10 175.17 2wmj n GLY 593 N 0.97 -0.50 2.36 0.66 0.00 -1.26 -2.05 105.19 105.38 2wmj n GLY 593 Ca 0.01 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.46 -4.60 -0.31 1.61 7.64 -1.05 -4.92 113.62 109.54 2wmj n SER 594 Ca -0.02 0.21 0.03 0.00 1.01 0.00 0.00 58.87 60.10 2wmj n SER 594 Cb 0.55 -3.52 0.17 0.00 -1.01 0.00 0.00 64.21 60.40 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 0.26 1.22 -0.46 -0.43 0.00 -1.55 -0.50 119.26 117.82 2wmj h ALA 595 Ca -0.31 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2wmj h ALA 595 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2wmj h ALA 595 CO 0.42 0.19 -0.09 0.82 0.00 0.00 0.00 179.25 180.59 2wmj h ILE 596 N 0.89 1.27 -0.22 0.00 1.08 -1.87 -0.07 117.51 118.60 2wmj h ILE 596 Ca 0.40 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2wmj h ILE 596 Cb 0.30 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2wmj h ILE 596 CO -0.22 0.41 0.13 -0.33 -0.69 0.00 0.00 178.15 177.45 2wmj h GLU 597 N 0.71 0.29 -0.71 2.37 5.08 -1.82 -2.91 114.58 117.59 2wmj h GLU 597 Ca 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2wmj h GLU 597 Cb 0.63 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2wmj h GLU 597 CO 0.04 0.24 0.42 0.87 -1.00 0.00 0.00 179.01 179.58 2wmj h LYS 598 N 0.26 0.98 -1.02 2.33 1.57 -1.02 -1.65 116.57 118.02 2wmj h LYS 598 Ca 0.08 -0.10 0.25 0.00 -1.87 0.00 0.00 60.65 59.01 2wmj h LYS 598 Cb 0.02 -0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.04 2wmj h LYS 598 CO -0.01 0.70 0.65 0.00 -0.57 0.00 0.00 179.45 180.22 2wmj h ALA 599 N 1.22 2.13 -0.31 3.86 0.00 -0.81 -0.79 119.26 124.56 2wmj h ALA 599 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2wmj h ALA 599 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wmj h ALA 599 CO -0.05 -0.53 0.00 1.19 0.00 0.00 0.00 179.25 179.87 2wmj n PHE 600 N -4.65 0.40 0.00 0.00 3.72 -1.08 -4.27 117.46 111.58 2wmj n PHE 600 Ca 0.24 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2wmj n PHE 600 Cb 0.81 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 1.37 1.07 0.35 1.37 0.00 -0.30 -4.54 105.19 104.51 2wmj n GLY 601 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2wmj n GLY 601 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wmj n LYS 602 N -0.25 -0.12 -0.81 1.61 4.81 -0.64 -0.20 118.16 122.56 2wmj n LYS 602 Ca 0.00 1.49 0.05 0.00 -0.87 0.00 0.00 58.31 58.98 2wmj n LYS 602 Cb 0.00 -2.22 0.35 0.00 0.02 0.00 0.00 35.03 33.18 2wmj n LYS 602 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wmj n ASN 603 N -5.52 5.12 0.00 3.14 3.02 -1.26 -4.91 115.26 114.85 2wmj n ASN 603 Ca 0.14 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 2wmj n ASN 603 Cb 0.45 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.48 0.54 3.37 7.41 0.00 0.72 -5.03 105.19 112.69 2wmj n GLY 604 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 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 3.25 0.00 1.61 3.01 -1.25 -4.90 119.74 120.53 2wmj s LYS 605 Ca 0.00 -1.66 0.20 0.00 -1.01 0.00 0.00 55.97 53.50 2wmj s LYS 605 Cb 0.00 -4.41 0.48 0.00 -1.01 0.00 0.00 37.83 32.89 2wmj s LYS 605 CO 0.00 -1.52 1.41 0.44 0.51 0.00 0.00 175.35 176.19 2wmj n ILE 606 N 5.19 0.79 -0.32 2.17 -5.35 -1.26 -3.72 119.36 116.86 2wmj n ILE 606 Ca 0.00 -0.89 -0.01 0.00 -0.27 0.00 0.00 62.75 61.58 2wmj n ILE 606 Cb 0.44 0.70 0.11 0.00 -1.74 0.00 0.00 39.64 39.15 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 3.82 1.16 -0.13 -1.28 0.00 -1.90 -1.64 119.26 119.29 2wmj h ALA 607 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2wmj h ALA 607 Cb 0.91 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wmj h ALA 607 CO 0.00 0.42 -0.75 0.35 0.00 0.00 0.00 179.25 179.28 2wmj h PHE 608 N 1.11 0.87 -0.20 0.00 3.57 -1.80 -1.16 116.94 119.32 2wmj h PHE 608 Ca 0.35 -0.38 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2wmj h PHE 608 Cb -0.00 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 2wmj h PHE 608 CO -0.02 1.18 -0.19 0.37 -2.23 0.00 0.00 178.31 177.43 2wmj h GLN 609 N 0.44 -0.19 -0.54 1.11 4.15 -1.68 -0.24 115.11 118.17 2wmj h GLN 609 Ca -0.04 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2wmj h GLN 609 Cb 1.35 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 2wmj h GLN 609 CO 0.14 -0.13 0.31 0.87 -1.93 0.00 0.00 178.83 178.09 2wmj h LYS 610 N -0.20 0.74 -0.31 1.69 1.57 -1.18 -2.07 116.57 116.82 2wmj h LYS 610 Ca 0.12 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 2wmj h LYS 610 Cb 0.38 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wmj h LYS 610 CO -0.32 0.54 -0.31 1.03 -0.57 0.00 0.00 179.45 179.82 2wmj h SER 611 N 0.75 0.80 -0.77 0.86 0.87 -0.87 -3.18 113.55 112.01 2wmj h SER 611 Ca 0.19 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2wmj h SER 611 Cb 0.00 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 2wmj h SER 611 CO -0.03 1.11 0.35 0.58 -0.53 0.00 0.00 176.83 178.31 2wmj h VAL 612 N 0.51 1.25 -1.03 2.23 2.07 -0.75 0.22 116.25 120.75 2wmj h VAL 612 Ca 0.05 -0.73 0.29 0.00 0.82 0.00 0.00 66.70 67.13 2wmj h VAL 612 Cb 0.89 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 2wmj h VAL 612 CO 0.08 0.30 0.62 0.44 0.02 0.00 0.00 177.57 179.03 2wmj h ASP 613 N 1.09 0.55 0.07 0.57 3.32 -1.36 -0.82 116.42 119.84 2wmj h ASP 613 Ca 0.26 0.14 -0.29 0.00 0.02 0.00 0.00 57.03 57.17 2wmj h ASP 613 Cb 0.15 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2wmj h ASP 613 CO -0.03 0.00 -1.56 0.11 -1.72 0.00 0.00 179.24 176.05 2wmj h LYS 614 N 0.43 0.14 -0.10 3.56 1.57 -1.43 -3.43 116.57 117.31 2wmj h LYS 614 Ca 0.68 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2wmj h LYS 614 Cb 1.52 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2wmj h LYS 614 CO -0.48 1.11 0.00 0.66 -0.57 0.00 0.00 179.45 180.17 2wmj n TYR 615 N -4.00 0.33 -0.13 -1.35 4.01 0.70 -4.76 117.16 111.97 2wmj n TYR 615 Ca -0.31 -0.87 0.24 0.00 -0.16 0.00 0.00 57.90 56.80 2wmj n TYR 615 Cb 0.85 -0.18 0.67 0.00 -0.31 0.00 0.00 39.34 40.37 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 0.70 0.10 0.00 -0.72 5.08 -1.35 -0.92 115.95 118.84 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 1.06 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 2wmj h TRP 616 CO 0.17 0.03 0.00 1.63 -1.28 0.00 0.00 178.44 178.99 2wmj n LYS 617 N -4.35 0.16 -0.23 0.12 5.02 -1.26 -1.77 118.16 115.85 2wmj n LYS 617 Ca 0.15 0.56 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 2wmj n LYS 617 Cb 0.79 -1.92 0.18 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.23 3.14 -4.79 4.39 3.02 -0.35 -4.75 115.26 113.69 2wmj n ASN 618 Ca -0.00 -2.10 -0.36 0.00 -0.03 0.00 0.00 54.58 52.09 2wmj n ASN 618 Cb 0.10 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.17 4.27 -0.16 3.41 2.96 -0.73 -1.06 118.68 126.21 2wmj s LEU 619 Ca 0.28 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 2wmj s LEU 619 Cb 0.16 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2wmj s LEU 619 CO 0.17 0.29 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.69 2wmj s ILE 620 N -0.29 2.51 -0.11 6.68 -1.09 0.06 -1.11 121.20 127.85 2wmj s ILE 620 Ca 0.11 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 2wmj s ILE 620 Cb -0.12 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 2wmj s ILE 620 CO 0.01 0.52 -0.11 0.12 -1.23 0.00 0.00 174.94 174.25 2wmj s PHE 621 N 0.89 2.84 0.07 3.97 5.99 -1.05 -1.28 117.98 129.40 2wmj s PHE 621 Ca -0.04 -0.41 0.06 0.00 0.00 0.00 0.00 56.93 56.53 2wmj s PHE 621 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 43.02 41.04 2wmj s PHE 621 CO -0.02 -0.04 -0.15 -1.64 -0.00 0.00 0.00 175.22 173.37 2wmj s MET 622 N -0.01 0.89 0.85 10.12 -1.94 -0.14 -1.79 119.30 127.27 2wmj s MET 622 Ca -0.03 -0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 2wmj s MET 622 Cb -0.14 -0.94 0.10 0.00 2.01 0.00 0.00 34.83 35.86 2wmj s MET 622 CO 0.04 0.22 1.10 -0.59 -0.01 0.00 0.00 175.02 175.77 2wmj s PHE 623 N -1.17 2.63 -0.26 -0.03 -0.12 -0.60 -1.40 117.98 117.03 2wmj s PHE 623 Ca -0.00 1.11 -0.04 0.00 -0.05 0.00 0.00 56.93 57.95 2wmj s PHE 623 Cb -0.10 -3.18 0.09 0.00 -0.63 0.00 0.00 43.02 39.20 2wmj s PHE 623 CO 0.02 -2.06 0.12 0.21 -0.05 0.00 0.00 175.22 173.46 2wmj s LYS 624 N -5.12 0.20 0.00 1.99 2.20 -1.12 -1.05 119.74 116.84 2wmj s LYS 624 Ca 0.62 -0.46 0.08 0.00 -0.36 0.00 0.00 55.97 55.85 2wmj s LYS 624 Cb -0.15 -1.36 0.33 0.00 -1.51 0.00 0.00 37.83 35.13 2wmj s LYS 624 CO 0.55 -0.94 1.23 0.27 -0.36 0.00 0.00 175.35 176.10 2wmj n ASN 625 N 5.23 0.70 -0.33 1.43 0.23 -0.79 -4.34 115.26 117.39 2wmj n ASN 625 Ca -0.06 -1.89 -0.02 0.00 -0.53 0.00 0.00 54.58 52.08 2wmj n ASN 625 Cb 0.44 -0.08 0.03 0.00 -2.08 0.00 0.00 39.78 38.09 2wmj n ASN 625 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wmj h THR 626 N 0.80 0.06 -0.16 5.53 2.02 -1.84 -3.25 112.91 116.06 2wmj h THR 626 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.50 2wmj h THR 626 Cb 0.18 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2wmj h THR 626 CO 0.00 0.00 3.59 -0.81 0.37 0.00 0.00 175.52 178.67 2wmj n PRO 627 N -5.46 3.72 0.28 6.66 -0.04 -1.26 -4.25 135.00 134.64 2wmj n PRO 627 Ca 0.08 -2.42 0.16 0.00 -0.04 0.00 0.00 63.50 61.29 2wmj n PRO 627 Cb 0.39 -2.84 0.82 0.00 -0.04 0.00 0.00 33.50 31.83 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 5.08 1.14 0.00 0.55 0.00 -1.85 -2.34 119.26 121.83 2wmj h ALA 628 Ca 0.82 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.62 2wmj h ALA 628 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wmj h ALA 628 CO 1.76 0.08 -0.20 0.00 0.00 0.00 0.00 179.25 180.89 2wmj h ALA 629 N 1.93 1.32 -0.00 0.00 0.00 -1.84 -2.37 119.26 118.30 2wmj h ALA 629 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wmj h ALA 629 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wmj h ALA 629 CO 0.01 0.25 -0.04 0.39 0.00 0.00 0.00 179.25 179.86 2wmj n GLU 630 N -3.80 0.48 -2.40 0.00 4.71 -0.88 -4.92 120.64 113.83 2wmj n GLU 630 Ca -0.02 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.16 56.89 2wmj n GLU 630 Cb 0.30 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.23 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 1.29 -0.47 0.92 0.62 0.00 -0.89 -4.68 105.19 101.98 2wmj n GLY 631 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.93 2.53 0.15 1.61 5.03 -1.26 -3.21 115.26 118.18 2wmj n ASN 632 Ca -0.21 -2.27 -0.14 0.00 0.87 0.00 0.00 54.58 52.82 2wmj n ASN 632 Cb 0.66 -0.48 -0.08 0.00 -1.02 0.00 0.00 39.78 38.87 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 1.59 -0.27 -0.06 6.41 3.32 -1.88 -1.62 116.42 123.92 2wmj h ASP 633 Ca 0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 2wmj h ASP 633 Cb 0.91 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2wmj h ASP 633 CO 0.15 -0.17 -0.45 0.77 -1.72 0.00 0.00 179.24 177.82 2wmj h SER 634 N -0.34 0.65 0.05 6.45 4.64 -1.84 -1.47 113.55 121.69 2wmj h SER 634 Ca -0.03 -0.31 -0.27 0.00 -0.47 0.00 0.00 61.79 60.71 2wmj h SER 634 Cb 0.26 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2wmj h SER 634 CO 0.05 1.00 -1.09 0.71 -0.87 0.00 0.00 176.83 176.64 2wmj h THR 635 N 0.49 1.29 -0.41 2.95 1.35 -1.86 0.24 112.91 116.95 2wmj h THR 635 Ca 0.03 -2.32 -0.05 0.00 -0.55 0.00 0.00 66.41 63.52 2wmj h THR 635 Cb 0.97 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.92 2wmj h THR 635 CO 0.09 0.71 0.05 0.74 -0.25 0.00 0.00 175.52 176.86 2wmj h THR 636 N 0.30 1.25 -0.55 6.82 2.02 -1.28 -1.80 112.91 119.67 2wmj h THR 636 Ca -0.15 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 2wmj h THR 636 Cb 1.76 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2wmj h THR 636 CO 0.21 0.31 0.20 -0.08 0.37 0.00 0.00 175.52 176.54 2wmj h GLU 637 N 0.54 0.83 -0.61 6.66 4.81 -1.23 -1.28 114.58 124.30 2wmj h GLU 637 Ca 0.12 -0.16 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2wmj h GLU 637 Cb 0.40 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 2wmj h GLU 637 CO 0.01 0.73 0.08 1.03 -0.73 0.00 0.00 179.01 180.13 2wmj h SER 638 N 0.75 -0.10 -0.41 1.04 0.87 -0.84 -1.83 113.55 113.02 2wmj h SER 638 Ca 0.18 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 2wmj h SER 638 Cb 0.22 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2wmj h SER 638 CO -0.01 -0.04 0.16 1.88 -0.53 0.00 0.00 176.83 178.28 2wmj h TYR 639 N 0.20 0.64 -0.53 2.24 0.05 -0.93 -1.03 116.97 117.61 2wmj h TYR 639 Ca 0.32 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 59.08 2wmj h TYR 639 Cb 0.51 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 2wmj h TYR 639 CO -0.29 0.57 0.31 0.52 -1.05 0.00 0.00 178.16 178.22 2wmj h MET 640 N 0.52 0.59 -0.18 4.88 2.86 -0.98 0.20 114.93 122.83 2wmj h MET 640 Ca 0.14 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2wmj h MET 640 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2wmj h MET 640 CO -0.01 0.39 0.10 -0.22 1.06 0.00 0.00 176.91 178.23 2wmj h LYS 641 N 0.61 0.26 -0.56 1.72 3.64 -1.25 -2.49 116.57 118.49 2wmj h LYS 641 Ca 0.21 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2wmj h LYS 641 Cb 0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2wmj h LYS 641 CO -0.10 0.26 -0.04 0.78 -2.27 0.00 0.00 179.45 178.07 2wmj h GLY 642 N 0.19 1.07 0.85 5.01 0.00 -0.83 -1.18 103.07 108.18 2wmj h GLY 642 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2wmj h GLY 642 CO -0.01 0.74 0.52 1.41 0.00 0.00 0.00 176.54 179.19 2wmj h LEU 643 N 0.90 0.85 0.05 3.11 3.38 -0.59 -1.60 115.31 121.41 2wmj h LEU 643 Ca 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wmj h LEU 643 Cb 0.58 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wmj h LEU 643 CO 0.04 0.58 -0.02 -0.25 0.09 0.00 0.00 178.44 178.87 2wmj h TRP 644 N 1.00 -0.06 0.00 1.13 7.01 -1.20 0.27 115.95 124.09 2wmj h TRP 644 Ca 0.33 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 2wmj h TRP 644 Cb 0.03 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2wmj h TRP 644 CO -0.03 0.21 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.71 2wmj h LEU 645 N -0.33 0.00 -3.07 0.65 3.38 -1.04 -1.97 115.31 112.93 2wmj h LEU 645 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wmj h LEU 645 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2wmj h LEU 645 CO 0.01 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 2wmj n SER 646 N -3.99 4.50 -2.42 -0.43 3.41 -0.62 -4.96 113.62 109.11 2wmj n SER 646 Ca -0.03 -2.37 -0.19 0.00 -0.26 0.00 0.00 58.87 56.02 2wmj n SER 646 Cb 0.13 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 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 1.11 -5.50 -0.54 4.04 3.02 -0.74 -4.90 115.26 111.75 2wmj n ASN 647 Ca 0.25 -0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 2wmj n ASN 647 Cb 0.82 -4.44 0.16 0.00 -0.61 0.00 0.00 39.78 35.72 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 -4.21 0.00 -3.63 3.10 8.25 0.93 -4.87 115.22 114.78 2wmj n HIS 648 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 2wmj n HIS 648 Cb 0.64 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.32 0.04 -0.02 1.59 -1.32 -1.14 -4.89 115.64 107.57 2wmj s THR 649 Ca 0.24 -0.30 -0.22 0.00 -1.21 0.00 0.00 61.69 60.20 2wmj s THR 649 Cb 0.19 -0.89 -0.21 0.00 -1.51 0.00 0.00 72.50 70.08 2wmj s THR 649 CO 0.47 -0.16 1.13 0.22 -2.21 0.00 0.00 174.62 174.07 2wmj h TYR 650 N 3.13 0.36 -4.42 9.09 3.20 -0.66 -3.40 116.97 124.26 2wmj h TYR 650 Ca -0.30 -0.17 -0.27 0.00 3.14 0.00 0.00 58.73 61.13 2wmj h TYR 650 Cb 1.19 -0.05 -0.12 0.00 1.54 0.00 0.00 36.73 39.28 2wmj h TYR 650 CO 0.41 0.91 -0.42 -0.65 -1.64 0.00 0.00 178.16 176.77 2wmj s GLN 651 N -3.50 1.54 0.16 1.82 -1.52 -1.23 -5.03 119.66 111.89 2wmj s GLN 651 Ca -0.15 -1.69 -0.00 0.00 -1.95 0.00 0.00 55.36 51.57 2wmj s GLN 651 Cb 0.03 0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 33.12 2wmj s GLN 651 CO 0.76 -0.58 0.06 1.67 -0.25 0.00 0.00 175.29 176.95 2wmj s TRP 652 N -3.74 1.06 0.00 0.91 1.48 -1.26 -2.53 118.94 114.86 2wmj s TRP 652 Ca 0.35 -1.19 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 2wmj s TRP 652 Cb 0.03 -0.59 0.00 0.00 -1.16 0.00 0.00 33.47 31.75 2wmj s TRP 652 CO 0.17 -0.44 0.00 0.41 -4.06 0.00 0.00 176.95 173.03 2wmj n GLY 653 N -0.19 2.40 3.22 3.67 0.00 -0.74 -1.51 105.19 112.03 2wmj n GLY 653 Ca -0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.20 -0.18 -0.26 -0.02 0.00 -0.81 -1.56 107.32 104.29 2wmj s GLY 654 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 44.72 45.23 2wmj s GLY 654 CO 0.00 0.43 0.08 -2.27 0.00 0.00 0.00 173.10 171.34 2wmj s LEU 655 N -0.58 3.54 -0.20 0.66 0.20 -0.22 -2.41 118.68 119.67 2wmj s LEU 655 Ca -0.07 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.41 2wmj s LEU 655 Cb -0.04 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 2wmj s LEU 655 CO 0.02 -0.06 0.11 -0.04 -0.29 0.00 0.00 176.35 176.09 2wmj s MET 656 N 1.62 4.08 -0.10 1.98 -1.94 -0.36 -1.89 119.30 122.69 2wmj s MET 656 Ca 0.06 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 2wmj s MET 656 Cb -0.15 -3.36 0.02 0.00 2.01 0.00 0.00 34.83 33.35 2wmj s MET 656 CO 0.04 0.24 -0.08 0.34 -0.01 0.00 0.00 175.02 175.55 2wmj s ASP 657 N 0.50 2.05 0.16 3.03 2.15 -1.26 -2.08 116.67 121.23 2wmj s ASP 657 Ca 0.06 -0.29 0.19 0.00 0.43 0.00 0.00 52.55 52.94 2wmj s ASP 657 Cb -0.12 -0.82 0.81 0.00 -0.30 0.00 0.00 42.92 42.49 2wmj s ASP 657 CO -0.00 -0.09 1.58 0.35 -0.17 0.00 0.00 175.17 176.83 2wmj n THR 658 N 4.71 0.98 0.16 1.71 -2.24 0.94 -1.96 114.28 118.58 2wmj n THR 658 Ca -0.15 0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.95 2wmj n THR 658 Cb 0.50 -1.18 0.10 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.94 0.00 0.17 4.78 7.02 -1.26 -2.14 117.44 124.07 2wmj n TRP 659 Ca 0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 2wmj n TRP 659 Cb 0.18 -0.48 0.56 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.19 -0.18 -0.99 2.10 -1.57 -1.54 116.57 114.58 2wmj h LYS 660 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 2wmj h LYS 660 Cb 0.07 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2wmj h LYS 660 CO 0.00 0.13 -0.16 2.35 -2.00 0.00 0.00 179.45 179.77 2wmj h TRP 661 N 0.20 0.32 0.19 0.07 2.91 -1.70 -1.93 115.95 116.00 2wmj h TRP 661 Ca 0.05 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2wmj h TRP 661 Cb -0.02 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 2wmj h TRP 661 CO 0.00 0.45 -0.09 -0.92 -1.03 0.00 0.00 178.44 176.85 2wmj h TYR 662 N 0.28 -0.23 -0.91 2.65 3.20 -1.49 -2.11 116.97 118.35 2wmj h TYR 662 Ca 0.05 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.12 2wmj h TYR 662 Cb 0.45 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 2wmj h TYR 662 CO 0.01 0.17 0.60 0.93 -1.64 0.00 0.00 178.16 178.23 2wmj h GLU 663 N -0.88 0.43 -0.08 1.82 4.39 -1.37 -0.19 114.58 118.70 2wmj h GLU 663 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2wmj h GLU 663 Cb 0.51 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2wmj h GLU 663 CO 0.04 0.28 0.00 0.25 -1.16 0.00 0.00 179.01 178.42 2wmj n THR 664 N -4.53 0.08 -1.67 1.13 -2.24 -0.73 -4.32 114.28 102.00 2wmj n THR 664 Ca 0.19 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.53 2wmj n THR 664 Cb 0.68 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.24 0.49 3.85 3.38 0.00 -0.08 -4.81 105.19 109.25 2wmj n GLY 665 Ca 0.17 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.48 3.62 0.00 1.61 1.02 -0.81 -0.52 119.74 121.18 2wmj s LYS 666 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.89 2wmj s LYS 666 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2wmj s LYS 666 CO 0.00 -0.55 0.00 -2.67 -0.92 0.00 0.00 175.35 171.21 2wmj n TRP 667 N -2.29 0.00 -1.68 3.18 4.27 -1.26 -4.76 117.44 114.90 2wmj n TRP 667 Ca 0.07 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.24 2wmj n TRP 667 Cb 0.54 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.47 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 2.01 -1.65 -2.67 4.81 -1.26 -4.85 118.16 114.56 2wmj n LYS 668 Ca 0.00 0.71 -0.47 0.00 -0.87 0.00 0.00 58.31 57.68 2wmj n LYS 668 Cb 0.00 -2.31 -0.04 0.00 0.02 0.00 0.00 35.03 32.70 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 1.50 2.70 0.00 3.14 7.94 -1.26 -1.48 117.00 129.55 2wmj n LEU 669 Ca 0.09 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2wmj n LEU 669 Cb 0.33 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.92 2wmj n LEU 669 CO 0.62 -0.55 0.00 0.49 -1.11 0.00 0.00 177.39 176.84 2wmj n PHE 670 N 2.80 0.00 -1.43 1.96 3.72 -1.26 -5.00 117.46 118.25 2wmj n PHE 670 Ca 0.16 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 2wmj n PHE 670 Cb 0.27 -0.89 0.07 0.00 -0.94 0.00 0.00 39.48 37.99 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 -2.18 2.42 0.22 4.37 0.00 -0.55 -4.93 121.76 121.11 2wmj s ALA 671 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 2wmj s ALA 671 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2wmj s ALA 671 CO 0.00 -1.54 0.56 0.45 0.00 0.00 0.00 175.76 175.23 2wmj s SER 672 N -3.63 6.66 0.00 0.00 0.15 -1.26 -4.97 113.70 110.65 2wmj s SER 672 Ca 0.60 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.21 2wmj s SER 672 Cb -0.15 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2wmj s SER 672 CO 0.55 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.55 2wmj n GLY 673 N 0.00 0.76 3.42 9.45 0.00 -1.26 -4.29 105.19 113.28 2wmj n GLY 673 Ca -0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.84 4.17 0.00 1.61 3.84 -1.26 -4.74 114.94 117.73 2wmj s ASN 674 Ca 0.00 -0.25 0.18 0.00 0.21 0.00 0.00 52.86 53.00 2wmj s ASN 674 Cb 0.00 -1.47 0.21 0.00 -0.55 0.00 0.00 41.25 39.44 2wmj s ASN 674 CO 0.00 0.21 1.14 2.30 -2.79 0.00 0.00 177.10 177.96 2wmj n ILE 675 N 3.22 0.16 -4.82 -5.21 -5.35 0.32 -4.91 119.36 102.77 2wmj n ILE 675 Ca -0.18 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 2wmj n ILE 675 Cb 0.53 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 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 1.07 0.59 2.77 3.28 0.00 -1.23 -4.08 105.19 107.60 2wmj n GLY 676 Ca 0.12 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 4.44 0.00 1.61 5.02 -1.26 -4.09 118.16 123.88 2wmj n LYS 677 Ca 0.00 -4.02 0.00 0.00 -2.02 0.00 0.00 58.31 52.27 2wmj n LYS 677 Cb 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 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 1.90 1.09 -2.70 4.39 3.41 -1.26 -4.79 113.62 115.66 2wmj n SER 678 Ca 0.42 -0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.67 2wmj n SER 678 Cb 0.31 0.81 0.04 0.00 -0.26 0.00 0.00 64.21 65.11 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 -0.92 1.25 -0.37 4.33 1.13 -1.26 -4.97 117.38 116.57 2wmj n GLN 679 Ca 0.00 -3.12 0.00 0.00 -1.94 0.00 0.00 57.00 51.94 2wmj n GLN 679 Cb 0.00 -1.16 0.06 0.00 0.11 0.00 0.00 30.24 29.25 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 -0.24 -1.95 0.12 1.08 0.00 -1.26 -0.95 105.19 102.00 2wmj n GLY 680 Ca 0.07 1.09 -0.02 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.09 1.61 3.32 -1.95 -0.99 116.42 118.33 2wmj h ASP 681 Ca 0.37 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 2wmj h ASP 681 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2wmj h ASP 681 CO -0.98 0.70 -0.52 0.03 -1.72 0.00 0.00 179.24 176.75 2wmj h ARG 682 N 0.00 0.66 -0.24 3.56 3.08 -1.78 -3.35 114.38 116.31 2wmj h ARG 682 Ca -0.01 -0.41 -0.10 0.00 0.07 0.00 0.00 59.98 59.53 2wmj h ARG 682 Cb 1.25 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2wmj h ARG 682 CO 0.09 1.02 -0.26 1.96 -1.07 0.00 0.00 179.97 181.72 2wmj h GLN 683 N 0.52 0.60 0.00 0.04 4.20 -0.16 -2.66 115.11 117.64 2wmj h GLN 683 Ca 0.02 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2wmj h GLN 683 Cb 1.08 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2wmj h GLN 683 CO 0.10 0.92 0.00 -2.67 -0.67 0.00 0.00 178.83 176.51 2wmj n TRP 684 N -4.35 0.00 0.40 2.96 4.27 -0.46 -2.49 117.44 117.77 2wmj n TRP 684 Ca -0.05 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.68 2wmj n TRP 684 Cb 0.45 -0.45 0.17 0.00 -1.36 0.00 0.00 31.31 30.11 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 -1.61 -3.41 115.31 119.34 2wmj h LEU 685 Ca 0.00 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.65 2wmj h LEU 685 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2wmj h LEU 685 CO 0.00 0.04 -1.31 0.74 0.09 0.00 0.00 178.44 178.01 2wmj h THR 686 N 0.00 1.12 -1.92 0.22 2.02 -1.47 -3.47 112.91 109.41 2wmj h THR 686 Ca 0.00 -2.84 -0.64 0.00 0.77 0.00 0.00 66.41 63.70 2wmj h THR 686 Cb 0.85 2.53 0.05 0.00 -1.74 0.00 0.00 68.15 69.84 2wmj h THR 686 CO 0.00 0.64 0.72 1.21 0.37 0.00 0.00 175.52 178.46 2wmj n GLU 687 N -3.15 1.65 -1.64 6.66 2.13 -1.26 -4.85 120.64 120.17 2wmj n GLU 687 Ca -0.08 0.60 -0.46 0.00 0.66 0.00 0.00 57.16 57.87 2wmj n GLU 687 Cb 0.96 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 30.31 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 3.75 1.74 -0.08 5.31 -0.02 -1.26 -4.90 135.00 139.54 2wmj n PRO 688 Ca 0.19 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 62.23 2wmj n PRO 688 Cb 0.23 -2.24 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 4.17 -0.05 0.00 -0.52 3.07 -1.89 -1.61 114.58 117.74 2wmj h GLU 689 Ca -0.45 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 2wmj h GLU 689 Cb 1.30 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2wmj h GLU 689 CO 0.76 -0.03 -0.04 0.66 -1.40 0.00 0.00 179.01 178.95 2wmj h SER 690 N -0.05 0.00 -0.05 1.42 4.64 -1.53 -1.96 113.55 116.02 2wmj h SER 690 Ca 0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2wmj h SER 690 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2wmj h SER 690 CO -0.34 0.04 -0.06 -0.03 -0.87 0.00 0.00 176.83 175.57 2wmj h MET 691 N 0.00 0.25 -0.53 4.77 -1.53 -1.58 -1.54 114.93 114.77 2wmj h MET 691 Ca -0.00 -0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.25 2wmj h MET 691 Cb 0.26 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 2wmj h MET 691 CO 0.00 0.33 0.35 -0.07 0.14 0.00 0.00 176.91 177.67 2wmj h LEU 692 N 0.25 0.51 -0.64 3.39 -0.00 -1.43 -1.63 115.31 115.76 2wmj h LEU 692 Ca 0.06 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.82 2wmj h LEU 692 Cb 0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2wmj h LEU 692 CO 0.01 0.36 -0.15 1.23 -0.00 0.00 0.00 178.44 179.88 2wmj h GLY 693 N 0.60 0.98 1.00 0.83 0.00 -1.43 -0.75 103.07 104.30 2wmj h GLY 693 Ca 0.21 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2wmj h GLY 693 CO -0.06 0.73 0.27 0.83 0.00 0.00 0.00 176.54 178.32 2wmj h GLU 694 N 0.80 0.92 -0.16 4.80 5.08 -1.08 -0.31 114.58 124.63 2wmj h GLU 694 Ca 0.12 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wmj h GLU 694 Cb 0.69 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2wmj h GLU 694 CO 0.05 0.76 0.09 0.93 -1.00 0.00 0.00 179.01 179.84 2wmj h GLU 695 N 0.87 0.23 0.00 2.33 5.08 -1.18 -3.14 114.58 118.77 2wmj h GLU 695 Ca 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2wmj h GLU 695 Cb 0.17 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2wmj h GLU 695 CO -0.02 0.24 -0.22 0.00 -1.00 0.00 0.00 179.01 178.01 2wmj h ALA 696 N 0.98 1.55 -0.18 3.43 0.00 -0.97 -1.15 119.26 122.92 2wmj h ALA 696 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wmj h ALA 696 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wmj h ALA 696 CO -0.01 0.27 0.12 -0.07 0.00 0.00 0.00 179.25 179.56 2wmj h LEU 697 N 0.00 0.21 -1.20 0.00 3.38 -1.00 -1.74 115.31 114.96 2wmj h LEU 697 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2wmj h LEU 697 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2wmj h LEU 697 CO 0.03 0.15 -0.12 1.23 0.09 0.00 0.00 178.44 179.82 2wmj h GLY 698 N 0.25 0.44 0.60 0.83 0.00 -1.23 -0.76 103.07 103.20 2wmj h GLY 698 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2wmj h GLY 698 CO -0.01 0.27 -0.26 -2.08 0.00 0.00 0.00 176.54 174.46 2wmj h VAL 699 N 0.38 0.15 -0.42 4.60 2.07 -1.42 -3.31 116.25 118.30 2wmj h VAL 699 Ca 0.07 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.21 2wmj h VAL 699 Cb 0.45 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 2wmj h VAL 699 CO 0.03 0.03 -0.11 0.22 0.02 0.00 0.00 177.57 177.75 2wmj h TYR 700 N -1.13 -0.25 0.00 1.57 3.20 -1.22 0.13 116.97 119.27 2wmj h TYR 700 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2wmj h TYR 700 Cb 0.60 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2wmj h TYR 700 CO 0.01 -0.19 0.00 1.28 -1.64 0.00 0.00 178.16 177.62 2wmj n LEU 701 N -5.33 0.22 -0.20 2.82 4.77 -0.30 -2.35 117.00 116.63 2wmj n LEU 701 Ca 0.03 0.55 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 2wmj n LEU 701 Cb 0.24 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2wmj n LEU 701 CO 0.14 -0.34 0.55 0.59 -1.33 0.00 0.00 177.39 177.00 2wmj n ASN 702 N -1.74 2.39 0.00 -1.43 4.13 -0.90 -4.91 115.26 112.80 2wmj n ASN 702 Ca 0.03 -2.31 0.00 0.00 1.68 0.00 0.00 54.58 53.98 2wmj n ASN 702 Cb 0.19 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 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 -0.52 0.82 3.81 7.41 0.00 -0.99 -4.98 105.19 110.73 2wmj n GLY 703 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.80 2.36 0.00 -0.02 0.00 -0.02 -4.81 107.32 103.03 2wmj s GLY 704 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.19 2wmj s GLY 704 CO 0.00 0.77 0.16 3.33 0.00 0.00 0.00 173.10 177.36 2wmj n VAL 705 N -1.16 0.02 -5.09 1.40 0.24 -0.57 -4.21 118.33 108.97 2wmj n VAL 705 Ca 0.08 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 2wmj n VAL 705 Cb 0.53 1.69 -0.16 0.00 -1.47 0.00 0.00 33.84 34.43 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 -0.02 1.82 -0.02 3.34 1.01 -1.17 -1.11 120.40 124.25 2wmj s VAL 706 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2wmj s VAL 706 Cb 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2wmj s VAL 706 CO 0.00 0.51 -0.11 -0.31 0.00 0.00 0.00 175.10 175.19 2wmj s TYR 707 N 0.08 1.03 -0.01 5.22 2.02 -0.62 -1.92 117.35 123.15 2wmj s TYR 707 Ca -0.08 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 2wmj s TYR 707 Cb -0.14 -0.69 0.03 0.00 -0.40 0.00 0.00 41.96 40.76 2wmj s TYR 707 CO 0.05 -0.06 0.39 1.21 -1.57 0.00 0.00 175.55 175.57 2wmj s ASN 708 N -0.08 -0.28 0.07 2.29 3.84 -1.01 -1.08 114.94 118.68 2wmj s ASN 708 Ca 0.01 0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.26 2wmj s ASN 708 Cb -0.06 0.37 -0.03 0.00 -0.55 0.00 0.00 41.25 40.98 2wmj s ASN 708 CO 0.00 -0.52 -0.09 -0.36 -2.79 0.00 0.00 177.10 173.34 2wmj s PHE 709 N -1.59 0.84 0.07 0.43 0.08 -1.26 -1.22 117.98 115.33 2wmj s PHE 709 Ca -0.11 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.34 2wmj s PHE 709 Cb -0.03 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 2wmj s PHE 709 CO 0.04 -0.07 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.83 2wmj s GLU 710 N -2.25 0.69 0.20 0.44 2.02 -0.88 -4.41 118.70 114.50 2wmj s GLU 710 Ca -0.02 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 53.43 2wmj s GLU 710 Cb -0.06 0.03 -0.08 0.00 0.10 0.00 0.00 34.13 34.12 2wmj s GLU 710 CO -0.00 -0.07 1.20 -1.58 0.02 0.00 0.00 175.26 174.82 2wmj s HIS 711 N -3.66 3.42 0.43 1.61 2.46 -1.26 -0.04 115.29 118.26 2wmj s HIS 711 Ca 0.08 1.44 0.14 0.00 0.47 0.00 0.00 55.06 57.19 2wmj s HIS 711 Cb 0.06 -3.43 1.03 0.00 -0.13 0.00 0.00 32.58 30.11 2wmj s HIS 711 CO -0.07 -1.19 1.98 -1.35 -2.47 0.00 0.00 174.74 171.64 2wmj h PRO 712 N 5.10 0.40 -0.59 2.88 0.11 -1.95 -1.37 132.00 136.57 2wmj h PRO 712 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2wmj h PRO 712 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wmj h PRO 712 CO 0.74 0.26 0.04 0.00 -0.21 0.00 0.00 178.00 178.83 2wmj h ALA 713 N 1.69 0.97 0.02 -0.75 0.00 -1.94 -0.86 119.26 118.39 2wmj h ALA 713 Ca 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wmj h ALA 713 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wmj h ALA 713 CO -0.08 0.64 -0.16 -0.92 0.00 0.00 0.00 179.25 178.73 2wmj h TYR 714 N 0.92 0.12 0.00 0.00 3.20 -1.80 -3.03 116.97 116.38 2wmj h TYR 714 Ca 0.18 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 2wmj h TYR 714 Cb 0.48 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2wmj h TYR 714 CO 0.03 0.99 -0.29 1.79 -1.64 0.00 0.00 178.16 179.04 2wmj h THR 715 N -0.77 0.58 0.00 1.81 1.35 -1.23 -3.40 112.91 111.24 2wmj h THR 715 Ca -0.03 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 2wmj h THR 715 Cb 1.04 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2wmj h THR 715 CO 0.03 0.28 -0.93 -1.22 -0.25 0.00 0.00 175.52 173.43 2wmj n TYR 716 N -3.29 -0.00 0.00 4.73 4.01 -0.38 -3.61 117.16 118.62 2wmj n TYR 716 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2wmj n TYR 716 Cb 0.54 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 2.99 0.94 3.14 2.72 0.00 -0.91 -0.86 105.19 113.21 2wmj n GLY 717 Ca 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.98 0.16 -1.47 1.61 -7.23 -1.09 -4.22 120.40 106.19 2wmj s VAL 718 Ca 0.00 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 2wmj s VAL 718 Cb 0.00 -1.21 0.05 0.00 0.56 0.00 0.00 36.38 35.79 2wmj s VAL 718 CO 0.00 -0.72 0.95 0.59 -0.31 0.00 0.00 175.10 175.61 2wmj n ASN 719 N 0.32 -5.41 -1.65 4.85 3.02 0.41 -0.97 115.26 115.83 2wmj n ASN 719 Ca -0.16 -0.60 -0.21 0.00 -0.03 0.00 0.00 54.58 53.58 2wmj n ASN 719 Cb 0.60 -4.31 -0.08 0.00 -0.61 0.00 0.00 39.78 35.38 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 -2.80 -5.45 -4.60 6.41 3.02 -1.26 -4.87 115.26 105.71 2wmj n ASN 720 Ca 0.01 0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 54.72 2wmj n ASN 720 Cb 0.55 -4.80 -0.10 0.00 -0.61 0.00 0.00 39.78 34.82 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 -3.83 2.47 0.03 3.52 1.02 -0.15 -4.84 119.74 117.96 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 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2wmj s LYS 721 CO 0.00 0.57 1.07 -1.21 -0.92 0.00 0.00 175.35 174.87 2wmj s GLU 722 N -1.70 4.51 0.72 1.68 2.02 -1.26 -2.67 118.70 122.01 2wmj s GLU 722 Ca 0.19 1.57 -0.13 0.00 0.02 0.00 0.00 54.97 56.63 2wmj s GLU 722 Cb -0.11 -3.41 0.03 0.00 0.10 0.00 0.00 34.13 30.75 2wmj s GLU 722 CO 0.10 -0.12 1.11 -1.54 0.02 0.00 0.00 175.26 174.83 2wmj s SER 723 N 0.97 4.69 0.40 -0.19 1.04 -0.04 -4.83 113.70 115.74 2wmj s SER 723 Ca 0.55 1.95 0.09 0.00 0.48 0.00 0.00 55.95 59.02 2wmj s SER 723 Cb -0.25 -2.54 0.83 0.00 0.10 0.00 0.00 66.02 64.16 2wmj s SER 723 CO 0.29 -1.91 1.95 -0.07 0.98 0.00 0.00 173.24 174.48 2wmj h LEU 724 N -0.59 0.26 -0.32 2.42 3.38 -1.87 -0.81 115.31 117.78 2wmj h LEU 724 Ca -0.45 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.53 2wmj h LEU 724 Cb 1.24 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2wmj h LEU 724 CO 0.52 0.35 -0.01 0.25 0.09 0.00 0.00 178.44 179.64 2wmj h LEU 725 N 0.27 -0.16 0.10 1.67 6.46 -1.90 0.25 115.31 122.01 2wmj h LEU 725 Ca 0.06 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2wmj h LEU 725 Cb 0.28 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2wmj h LEU 725 CO 0.01 -0.04 -0.05 0.15 -0.62 0.00 0.00 178.44 177.89 2wmj h PHE 726 N 0.07 -0.13 -0.22 1.25 3.57 -1.39 -1.90 116.94 118.20 2wmj h PHE 726 Ca 0.15 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 2wmj h PHE 726 Cb 0.21 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wmj h PHE 726 CO -0.24 0.07 -0.55 0.66 -2.23 0.00 0.00 178.31 176.02 2wmj h SER 727 N -0.31 0.73 0.40 0.41 4.64 -1.05 0.40 113.55 118.78 2wmj h SER 727 Ca -0.01 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2wmj h SER 727 Cb 0.26 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2wmj h SER 727 CO 0.02 1.13 -1.63 -0.62 -0.87 0.00 0.00 176.83 174.86 2wmj n GLU 728 N -3.97 0.64 0.02 4.77 -0.58 0.06 -4.25 120.64 117.33 2wmj n GLU 728 Ca -0.03 -0.04 -0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2wmj n GLU 728 Cb 0.61 -1.65 -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 -2.48 0.59 -0.13 2.62 0.31 -0.78 -4.37 118.33 114.08 2wmj n VAL 729 Ca -0.05 0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.37 2wmj n VAL 729 Cb 0.62 -1.32 -0.02 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.04 1.28 -0.20 2.52 2.04 -0.99 -0.44 117.51 121.70 2wmj h ILE 730 Ca 0.00 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 2wmj h ILE 730 Cb 0.04 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2wmj h ILE 730 CO 0.00 0.45 0.02 0.50 0.00 0.00 0.00 178.15 179.12 2wmj h LYS 731 N 0.64 0.33 -0.72 2.37 3.64 -0.44 -0.20 116.57 122.20 2wmj h LYS 731 Ca 0.09 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2wmj h LYS 731 Cb 0.76 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2wmj h LYS 731 CO 0.06 0.51 0.23 0.93 -2.27 0.00 0.00 179.45 178.91 2wmj h GLU 732 N 0.11 1.10 -0.08 1.90 4.39 -1.72 -0.52 114.58 119.76 2wmj h GLU 732 Ca 0.06 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.54 2wmj h GLU 732 Cb 0.35 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2wmj h GLU 732 CO 0.01 0.93 0.02 0.35 -1.16 0.00 0.00 179.01 179.16 2wmj h PHE 733 N 1.06 0.04 -0.65 4.33 3.57 -1.02 -2.17 116.94 122.09 2wmj h PHE 733 Ca 0.23 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 2wmj h PHE 733 Cb 0.29 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2wmj h PHE 733 CO 0.02 0.02 0.07 0.35 -2.23 0.00 0.00 178.31 176.55 2wmj h PHE 734 N 0.06 1.17 -0.92 0.41 3.57 -0.79 -1.59 116.94 118.85 2wmj h PHE 734 Ca 0.03 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.42 2wmj h PHE 734 Cb 0.02 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 2wmj h PHE 734 CO -0.10 1.00 0.58 0.00 -2.23 0.00 0.00 178.31 177.56 2wmj h ARG 735 N 1.02 1.04 -0.31 1.11 3.08 -1.10 -1.79 114.38 117.42 2wmj h ARG 735 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wmj h ARG 735 Cb 0.48 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2wmj h ARG 735 CO 0.02 0.69 0.20 -0.92 -1.07 0.00 0.00 179.97 178.88 2wmj h TYR 736 N 1.07 0.41 0.00 3.04 3.20 -0.66 -1.86 116.97 122.16 2wmj h TYR 736 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2wmj h TYR 736 Cb 0.15 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2wmj h TYR 736 CO -0.02 0.28 0.00 -0.39 -1.64 0.00 0.00 178.16 176.39 2wmj h VAL 737 N 0.41 0.00 -0.09 1.81 -1.51 -0.87 0.17 116.25 116.18 2wmj h VAL 737 Ca 0.11 -0.68 -0.12 0.00 -1.23 0.00 0.00 66.70 64.78 2wmj h VAL 737 Cb -0.01 1.65 0.01 0.00 -2.13 0.00 0.00 31.29 30.80 2wmj h VAL 737 CO -0.02 0.00 -0.43 0.40 -1.23 0.00 0.00 177.57 176.28 2wmj h ILE 738 N 0.00 1.39 -0.01 7.19 2.04 -1.19 -3.26 117.51 123.66 2wmj h ILE 738 Ca 0.00 -1.80 -0.13 0.00 1.00 0.00 0.00 64.86 63.94 2wmj h ILE 738 Cb 0.74 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2wmj h ILE 738 CO 0.00 0.53 -0.59 0.00 0.00 0.00 0.00 178.15 178.09 2wmj h ALA 739 N 0.45 0.99 -2.89 1.87 0.00 -0.96 -3.35 119.26 115.38 2wmj h ALA 739 Ca -0.03 -0.54 -0.61 0.00 0.00 0.00 0.00 54.91 53.73 2wmj h ALA 739 Cb 1.08 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.37 2wmj h ALA 739 CO 0.09 0.73 -0.69 -1.01 0.00 0.00 0.00 179.25 178.37 2wmj s HIS 740 N -3.70 2.82 0.25 0.00 3.76 0.56 -5.10 115.29 113.89 2wmj s HIS 740 Ca -0.02 -3.03 -0.30 0.00 -0.15 0.00 0.00 55.06 51.57 2wmj s HIS 740 Cb 0.13 -2.18 -0.15 0.00 1.11 0.00 0.00 32.58 31.49 2wmj s HIS 740 CO 0.77 -0.63 1.06 -2.30 -0.85 0.00 0.00 174.74 172.78 2wmj n PRO 741 N 2.28 1.28 -1.08 8.40 -0.02 -1.23 -4.57 135.00 140.05 2wmj n PRO 741 Ca 0.22 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 2wmj n PRO 741 Cb 0.38 -1.86 0.08 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.69 -2.57 -1.76 3.55 0.00 -1.25 -4.87 120.51 114.29 2wmj n ALA 742 Ca 0.12 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2wmj n ALA 742 Cb 0.29 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.35 2.65 -1.14 0.00 -0.04 -1.26 -4.83 135.00 130.03 2wmj n PRO 743 Ca 0.07 0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 64.17 2wmj n PRO 743 Cb 0.52 -2.67 0.15 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.00 3.26 0.19 3.54 1.04 -1.26 -4.44 113.70 116.03 2wmj s SER 744 Ca 0.56 1.50 -0.13 0.00 0.48 0.00 0.00 55.95 58.36 2wmj s SER 744 Cb -0.49 -2.17 0.20 0.00 0.10 0.00 0.00 66.02 63.66 2wmj s SER 744 CO 0.60 -2.77 1.71 0.50 0.98 0.00 0.00 173.24 174.26 2wmj h LYS 745 N -1.64 0.22 -0.01 4.02 3.64 -1.93 0.73 116.57 121.59 2wmj h LYS 745 Ca -0.50 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2wmj h LYS 745 Cb 1.29 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 2wmj h LYS 745 CO 0.54 0.14 -0.17 1.49 -2.27 0.00 0.00 179.45 179.18 2wmj h GLU 746 N 0.22 -0.26 0.21 1.90 4.57 -1.98 0.24 114.58 119.47 2wmj h GLU 746 Ca 0.26 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 2wmj h GLU 746 Cb 0.35 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 2wmj h GLU 746 CO -0.34 -0.18 -0.34 -0.22 -1.18 0.00 0.00 179.01 176.76 2wmj h LYS 747 N -0.27 -0.60 -0.75 1.92 1.63 -1.76 0.26 116.57 117.00 2wmj h LYS 747 Ca 0.06 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.02 2wmj h LYS 747 Cb 0.35 0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.03 2wmj h LYS 747 CO -0.17 -0.40 0.34 0.28 -3.45 0.00 0.00 179.45 176.05 2wmj h VAL 748 N -0.62 0.74 0.31 2.00 2.07 -0.64 -0.32 116.25 119.79 2wmj h VAL 748 Ca 0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2wmj h VAL 748 Cb 0.61 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2wmj h VAL 748 CO -0.14 0.10 -0.15 -0.07 0.02 0.00 0.00 177.57 177.33 2wmj h LEU 749 N 0.53 -0.35 -1.20 2.57 3.38 0.00 -1.96 115.31 118.27 2wmj h LEU 749 Ca 0.40 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.63 2wmj h LEU 749 Cb 0.53 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2wmj h LEU 749 CO -0.35 -0.24 0.64 -0.33 0.09 0.00 0.00 178.44 178.25 2wmj h GLU 750 N -0.42 0.48 -0.00 1.13 5.08 0.31 -2.08 114.58 119.06 2wmj h GLU 750 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wmj h GLU 750 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wmj h GLU 750 CO 0.07 0.31 -0.20 -0.25 -1.00 0.00 0.00 179.01 177.94 2wmj n ASP 751 N -4.74 0.67 -4.67 1.42 8.00 -0.20 -4.86 116.55 112.16 2wmj n ASP 751 Ca 0.26 -0.62 -0.40 0.00 0.71 0.00 0.00 54.79 54.74 2wmj n ASP 751 Cb 0.81 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 2wmj n ASP 751 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wmj s THR 752 N -2.56 5.00 -0.12 -3.53 2.01 -0.79 -4.93 115.64 110.73 2wmj s THR 752 Ca 0.25 1.31 0.19 0.00 0.31 0.00 0.00 61.69 63.74 2wmj s THR 752 Cb 0.19 -3.99 -0.27 0.00 0.01 0.00 0.00 72.50 68.44 2wmj s THR 752 CO 0.52 0.12 0.23 0.29 -0.69 0.00 0.00 174.62 175.09 2wmj n LYS 753 N 4.87 0.77 -4.19 4.92 4.76 -1.26 -4.47 118.16 123.57 2wmj n LYS 753 Ca -0.00 -0.09 -0.17 0.00 -2.87 0.00 0.00 58.31 55.18 2wmj n LYS 753 Cb 0.50 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 32.05 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 -2.88 0.47 -0.11 -0.18 1.01 -1.26 -1.77 120.40 115.68 2wmj s VAL 754 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2wmj s VAL 754 Cb 0.09 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.09 2wmj s VAL 754 CO 0.81 0.14 -0.01 0.12 0.00 0.00 0.00 175.10 176.16 2wmj s PHE 755 N 0.03 1.02 0.05 5.22 5.36 -0.10 -4.35 117.98 125.21 2wmj s PHE 755 Ca 0.00 -0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 55.22 2wmj s PHE 755 Cb -0.04 -0.99 -0.06 0.00 -0.34 0.00 0.00 43.02 41.59 2wmj s PHE 755 CO -0.00 -0.45 0.72 0.42 -1.46 0.00 0.00 175.22 174.44 2wmj s ILE 756 N 1.86 4.74 -0.21 3.12 1.01 -0.07 -1.16 121.20 130.49 2wmj s ILE 756 Ca 0.03 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 2wmj s ILE 756 Cb -0.13 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.28 2wmj s ILE 756 CO -0.07 0.40 -0.11 -2.28 0.00 0.00 0.00 174.94 172.89 2wmj s HIS 757 N -0.24 2.92 0.00 3.97 5.65 0.26 -1.91 115.29 125.94 2wmj s HIS 757 Ca 0.36 -1.37 0.00 0.00 0.25 0.00 0.00 55.06 54.30 2wmj s HIS 757 Cb -0.20 -2.02 0.00 0.00 -1.18 0.00 0.00 32.58 29.18 2wmj s HIS 757 CO 0.22 -0.69 0.00 0.41 -0.65 0.00 0.00 174.74 174.02 2wmj n GLY 758 N 4.70 1.15 3.54 1.59 0.00 -0.54 -0.41 105.19 115.21 2wmj n GLY 758 Ca -0.19 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 0.00 6.16 0.57 1.61 1.01 -1.26 -3.65 116.67 121.11 2wmj s ASP 759 Ca 0.00 -0.30 0.27 0.00 0.71 0.00 0.00 52.55 53.22 2wmj s ASP 759 Cb 0.00 -2.19 1.65 0.00 1.01 0.00 0.00 42.92 43.39 2wmj s ASP 759 CO 0.00 -0.34 2.17 1.88 0.21 0.00 0.00 175.17 179.09 2wmj h TYR 760 N 8.49 0.00 0.00 4.23 0.05 -1.95 -2.00 116.97 125.79 2wmj h TYR 760 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2wmj h TYR 760 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 2wmj h TYR 760 CO 0.68 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 178.45 2wmj h SER 761 N 0.00 0.00 -0.09 3.88 4.64 -1.94 -0.48 113.55 119.56 2wmj h SER 761 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2wmj h SER 761 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2wmj h SER 761 CO -0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 2wmj n ASN 762 N -2.94 2.91 -2.06 4.97 5.15 -0.75 -4.49 115.26 118.04 2wmj n ASN 762 Ca -0.01 -1.95 -0.00 0.00 -0.60 0.00 0.00 54.58 52.02 2wmj n ASN 762 Cb 0.18 -0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.44 2wmj n ASN 762 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wmj n LYS 763 N 1.24 1.23 -0.61 1.20 4.76 -0.50 -5.00 118.16 120.48 2wmj n LYS 763 Ca 0.15 -2.97 0.00 0.00 -2.87 0.00 0.00 58.31 52.62 2wmj n LYS 763 Cb 0.57 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 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 -0.23 0.71 7.00 0.72 0.00 -1.17 -4.21 105.19 108.01 2wmj n GLY 764 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.29 1.61 3.02 -0.31 -1.77 115.26 118.11 2wmj n ASN 765 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 2wmj n ASN 765 Cb 0.00 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.76 7.41 0.00 -1.82 -1.38 103.07 108.04 2wmj h GLY 766 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 2wmj h GLY 766 CO 0.00 0.00 0.49 0.50 0.00 0.00 0.00 176.54 177.53 2wmj h LYS 767 N 0.00 0.00 -0.69 4.80 1.57 -1.63 -2.61 116.57 118.00 2wmj h LYS 767 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2wmj h LYS 767 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2wmj h LYS 767 CO 0.00 0.00 0.46 0.35 -0.57 0.00 0.00 179.45 179.69 2wmj h PHE 768 N 0.00 0.81 -0.00 -1.35 3.57 -1.40 -2.86 116.94 115.70 2wmj h PHE 768 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2wmj h PHE 768 Cb 1.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2wmj h PHE 768 CO 0.00 0.48 -0.76 1.19 -2.23 0.00 0.00 178.31 176.99 2wmj n PHE 769 N -4.46 0.00 -1.84 0.41 3.72 -0.99 -4.83 117.46 109.47 2wmj n PHE 769 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 2wmj n PHE 769 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2wmj n PHE 769 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wmj s VAL 770 N -2.62 2.24 0.00 -4.37 1.01 -1.08 -0.56 120.40 115.02 2wmj s VAL 770 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2wmj s VAL 770 Cb 0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2wmj s VAL 770 CO 0.69 0.03 0.00 0.59 0.00 0.00 0.00 175.10 176.42 2wmj n ASN 771 N 2.35 -5.20 -0.00 3.32 5.03 0.24 -4.80 115.26 116.20 2wmj n ASN 771 Ca 0.08 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.53 2wmj n ASN 771 Cb 0.38 -3.21 -0.00 0.00 -1.02 0.00 0.00 39.78 35.93 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 -2.05 0.01 -0.69 2.41 0.31 0.27 -4.93 118.33 113.66 2wmj n VAL 772 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 2wmj n VAL 772 Cb 0.42 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.51 0.76 -4.32 4.52 0.23 -0.37 -4.82 115.26 108.75 2wmj n ASN 773 Ca -0.00 -1.44 -0.27 0.00 -0.53 0.00 0.00 54.58 52.34 2wmj n ASN 773 Cb 0.00 -0.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.55 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 -0.42 1.94 -1.46 5.53 -4.23 -0.87 -1.09 115.64 115.03 2wmj s THR 774 Ca 0.01 -1.54 0.25 0.00 -1.18 0.00 0.00 61.69 59.23 2wmj s THR 774 Cb 0.01 -1.72 0.11 0.00 1.34 0.00 0.00 72.50 72.24 2wmj s THR 774 CO 0.00 0.09 1.41 -0.90 -0.54 0.00 0.00 174.62 174.68 2wmj n ASP 775 N 1.24 0.94 -3.65 3.99 5.75 -1.26 -0.59 116.55 122.96 2wmj n ASP 775 Ca -0.18 -0.74 -0.07 0.00 -0.01 0.00 0.00 54.79 53.78 2wmj n ASP 775 Cb 0.53 0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 40.88 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 -2.71 1.24 0.18 0.11 1.70 -1.26 -4.81 118.95 113.39 2wmj s ARG 776 Ca 0.18 -0.60 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2wmj s ARG 776 Cb 0.18 0.47 0.08 0.00 -0.57 0.00 0.00 34.95 35.11 2wmj s ARG 776 CO 0.62 -0.56 1.47 1.49 -1.08 0.00 0.00 175.30 177.24 2wmj h GLU 777 N 2.00 0.53 -3.46 3.89 4.81 -1.93 -3.38 114.58 117.05 2wmj h GLU 777 Ca -0.24 -0.37 -0.79 0.00 -0.13 0.00 0.00 59.36 57.83 2wmj h GLU 777 Cb 1.25 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.40 2wmj h GLU 777 CO 0.29 0.98 0.41 1.04 -0.73 0.00 0.00 179.01 181.00 2wmj n GLN 778 N -3.92 3.52 -3.70 1.92 6.02 -1.26 -4.24 117.38 115.72 2wmj n GLN 778 Ca -0.04 -4.47 -0.14 0.00 -0.01 0.00 0.00 57.00 52.34 2wmj n GLN 778 Cb 0.64 -2.53 -0.09 0.00 1.02 0.00 0.00 30.24 29.29 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 -1.47 0.02 -2.33 5.09 -1.32 -1.26 -5.02 115.64 109.35 2wmj s THR 779 Ca 0.31 -0.19 0.21 0.00 -1.21 0.00 0.00 61.69 60.81 2wmj s THR 779 Cb -0.08 -0.70 0.44 0.00 -1.51 0.00 0.00 72.50 70.66 2wmj s THR 779 CO -0.07 -0.10 1.45 -0.81 -2.21 0.00 0.00 174.62 172.88 2wmj n PRO 780 N 1.86 2.22 -4.10 7.08 -0.04 -1.26 -4.68 135.00 136.08 2wmj n PRO 780 Ca -0.18 -1.85 -0.23 0.00 -0.04 0.00 0.00 63.50 61.20 2wmj n PRO 780 Cb 0.56 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.42 3.20 0.17 1.53 1.43 -1.26 -4.71 118.68 117.62 2wmj s LEU 781 Ca 0.36 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 2wmj s LEU 781 Cb 0.20 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2wmj s LEU 781 CO 0.29 -0.37 -0.12 -0.31 0.23 0.00 0.00 176.35 176.06 2wmj s TYR 782 N -2.48 2.59 -0.36 0.29 2.02 -1.26 -4.74 117.35 113.41 2wmj s TYR 782 Ca 0.39 -0.24 0.18 0.00 -0.37 0.00 0.00 57.07 57.03 2wmj s TYR 782 Cb -0.01 -1.28 -0.25 0.00 -0.40 0.00 0.00 41.96 40.02 2wmj s TYR 782 CO 0.23 0.49 0.55 0.00 -1.57 0.00 0.00 175.55 175.25 2wmj n MET 783 N 0.18 0.76 -3.84 -0.62 0.00 -0.25 -4.60 117.12 108.75 2wmj n MET 783 Ca -0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 57.70 57.37 2wmj n MET 783 Cb 0.55 -1.40 -0.10 0.00 0.00 0.00 0.00 33.22 32.26 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 -3.05 0.06 -2.24 3.17 -1.32 -1.25 -3.63 115.64 107.38 2wmj s THR 784 Ca -0.01 -0.46 0.22 0.00 -1.21 0.00 0.00 61.69 60.22 2wmj s THR 784 Cb 0.13 -0.41 0.51 0.00 -1.51 0.00 0.00 72.50 71.21 2wmj s THR 784 CO 0.76 -0.25 1.46 0.61 -2.21 0.00 0.00 174.62 174.98 2wmj n GLY 785 N 1.87 1.80 0.35 6.08 0.00 -0.96 -4.63 105.19 109.70 2wmj n GLY 785 Ca -0.20 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 4.03 0.80 -0.44 1.61 2.43 -1.94 -0.30 114.38 120.57 2wmj h ARG 786 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wmj h ARG 786 Cb 0.90 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2wmj h ARG 786 CO 0.00 0.53 0.00 0.66 -1.51 0.00 0.00 179.97 179.65 2wmj n TYR 787 N -4.47 0.58 0.00 2.20 4.01 -1.26 -4.81 117.16 113.41 2wmj n TYR 787 Ca 0.10 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 2wmj n TYR 787 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.10 0.00 -4.48 7.72 6.94 -0.13 -3.91 115.26 122.50 2wmj n ASN 788 Ca 0.17 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.36 2wmj n ASN 788 Cb 0.51 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.81 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 4.49 -0.21 3.53 1.01 -1.26 -4.91 120.40 123.05 2wmj s VAL 789 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2wmj s VAL 789 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2wmj s VAL 789 CO 0.00 0.33 1.34 -0.63 0.00 0.00 0.00 175.10 176.14 2wmj s ILE 790 N 1.60 4.12 0.46 2.22 1.01 -1.25 -5.00 121.20 124.36 2wmj s ILE 790 Ca 0.06 1.32 -0.22 0.00 0.00 0.00 0.00 60.65 61.81 2wmj s ILE 790 Cb -0.15 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2wmj s ILE 790 CO 0.05 -0.27 1.07 -2.16 0.00 0.00 0.00 174.94 173.64 2wmj s PRO 791 N 3.90 3.84 0.07 2.79 0.04 -1.26 -4.63 135.00 139.76 2wmj s PRO 791 Ca 0.58 1.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 2wmj s PRO 791 Cb -0.21 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 2wmj s PRO 791 CO 0.20 -0.42 0.19 0.00 0.04 0.00 0.00 177.00 177.01 2wmj s ALA 792 N -1.78 -0.26 0.12 8.56 0.00 -0.86 -0.89 121.76 126.65 2wmj s ALA 792 Ca 0.65 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.15 2wmj s ALA 792 Cb -0.21 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2wmj s ALA 792 CO 0.26 -0.46 -0.16 0.96 0.00 0.00 0.00 175.76 176.35 2wmj s ILE 793 N -3.48 1.45 0.70 0.00 -4.36 -0.80 -3.67 121.20 111.04 2wmj s ILE 793 Ca 0.02 -1.71 -0.16 0.00 -0.26 0.00 0.00 60.65 58.54 2wmj s ILE 793 Cb 0.03 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.19 2wmj s ILE 793 CO -0.09 -0.34 1.11 -2.65 0.24 0.00 0.00 174.94 173.21 2wmj n PRO 794 N 0.61 0.70 0.24 0.37 -0.02 -1.26 -1.47 135.00 134.17 2wmj n PRO 794 Ca -0.16 0.30 0.16 0.00 -2.02 0.00 0.00 63.50 61.77 2wmj n PRO 794 Cb 0.56 -2.35 0.85 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.02 0.00 2.00 -1.23 0.00 -1.88 -1.97 103.07 99.97 2wmj h GLY 795 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2wmj h GLY 795 CO 0.49 0.00 -0.10 -0.24 0.00 0.00 0.00 176.54 176.69 2wmj h VAL 796 N 0.00 0.62 -2.94 4.60 3.04 -1.91 -3.44 116.25 116.21 2wmj h VAL 796 Ca 0.05 -0.45 -0.47 0.00 -1.01 0.00 0.00 66.70 64.83 2wmj h VAL 796 Cb 0.25 1.28 0.03 0.00 -2.01 0.00 0.00 31.29 30.84 2wmj h VAL 796 CO -0.00 0.10 -0.05 -0.76 -1.01 0.00 0.00 177.57 175.86 2wmj s LEU 797 N -7.49 3.61 -0.07 3.16 1.43 -0.74 -5.00 118.68 113.58 2wmj s LEU 797 Ca -0.03 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2wmj s LEU 797 Cb 0.14 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 2wmj s LEU 797 CO 0.59 -0.71 0.28 -0.54 0.23 0.00 0.00 176.35 176.20 2wmj s LYS 798 N -4.62 3.75 0.31 1.70 3.01 -1.26 -4.95 119.74 117.68 2wmj s LYS 798 Ca 0.48 0.15 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 2wmj s LYS 798 Cb -0.10 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.49 2wmj s LYS 798 CO 0.39 0.68 0.00 2.41 0.51 0.00 0.00 175.35 179.35 2wmj n THR 799 N 2.07 -9.05 -1.13 2.17 -1.04 -1.26 -5.12 114.28 100.92 2wmj n THR 799 Ca -0.16 2.98 0.00 0.00 -2.04 0.00 0.00 64.05 64.83 2wmj n THR 799 Cb 0.53 -4.34 0.00 0.00 -1.82 0.00 0.00 70.33 64.71 2wmj n THR 799 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wmj n ILE 813 N 1.09 -6.04 -2.87 12.58 5.41 -1.26 -5.15 119.36 123.12 2wmj n ILE 813 Ca 0.00 1.53 -0.42 0.00 1.00 0.00 0.00 62.75 64.86 2wmj n ILE 813 Cb 0.00 -3.16 -0.04 0.00 -0.71 0.00 0.00 39.64 35.73 2wmj n ILE 813 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2wmj s GLN 814 N -2.32 3.87 -0.22 0.38 2.00 -0.73 -4.97 119.66 117.68 2wmj s GLN 814 Ca 0.00 0.56 -0.20 0.00 -2.00 0.00 0.00 55.36 53.72 2wmj s GLN 814 Cb 0.00 -3.78 -0.02 0.00 0.80 0.00 0.00 33.01 30.01 2wmj s GLN 814 CO 0.00 -0.84 0.62 0.42 -0.50 0.00 0.00 175.29 174.98 2wmj s ILE 815 N 3.25 5.02 -0.08 -2.34 1.01 -1.26 -0.93 121.20 125.87 2wmj s ILE 815 Ca 0.35 1.13 0.02 0.00 0.00 0.00 0.00 60.65 62.16 2wmj s ILE 815 Cb -0.13 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2wmj s ILE 815 CO 0.16 0.09 -0.15 -0.54 0.00 0.00 0.00 174.94 174.50 2wmj s LYS 816 N 2.11 1.99 0.38 2.79 -0.14 -0.31 -4.97 119.74 121.60 2wmj s LYS 816 Ca 0.27 -0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 54.10 2wmj s LYS 816 Cb -0.16 -1.62 -0.10 0.00 -1.68 0.00 0.00 37.83 34.28 2wmj s LYS 816 CO 0.10 0.04 1.39 -1.21 -0.76 0.00 0.00 175.35 174.91 2wmj s GLU 817 N 0.64 4.07 0.57 1.68 0.41 -1.26 -0.57 118.70 124.24 2wmj s GLU 817 Ca -0.15 2.37 0.34 0.00 -0.41 0.00 0.00 54.97 57.13 2wmj s GLU 817 Cb -0.16 -2.90 1.62 0.00 -1.78 0.00 0.00 34.13 30.91 2wmj s GLU 817 CO 0.04 -0.49 2.09 0.97 -0.49 0.00 0.00 175.26 177.38 2wmj h ILE 818 N 2.76 0.17 -0.01 -1.63 2.10 -1.10 -2.33 117.51 117.48 2wmj h ILE 818 Ca -0.50 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.00 2wmj h ILE 818 Cb 1.24 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 2wmj h ILE 818 CO 0.64 0.04 -0.12 0.35 -1.08 0.00 0.00 178.15 177.97 2wmj n THR 819 N -3.23 0.00 -1.14 2.19 -2.24 -1.26 -4.68 114.28 103.92 2wmj n THR 819 Ca -0.01 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 2wmj n THR 819 Cb 0.24 0.21 0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.32 3.93 0.57 3.42 1.04 -0.88 -4.91 113.70 114.54 2wmj s SER 820 Ca 0.31 2.08 0.35 0.00 0.48 0.00 0.00 55.95 59.16 2wmj s SER 820 Cb 0.20 -2.55 1.63 0.00 0.10 0.00 0.00 66.02 65.39 2wmj s SER 820 CO 0.45 -2.43 2.09 -0.65 0.98 0.00 0.00 173.24 173.68 2wmj h PRO 821 N -1.12 0.00 0.00 4.02 0.11 -1.92 -2.45 132.00 130.64 2wmj h PRO 821 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2wmj h PRO 821 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2wmj h PRO 821 CO 0.48 0.04 -0.23 0.93 -0.21 0.00 0.00 178.00 179.00 2wmj h GLU 822 N 0.00 0.00 -0.52 1.05 3.07 -1.91 -2.89 114.58 113.38 2wmj h GLU 822 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wmj h GLU 822 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2wmj h GLU 822 CO 0.01 0.23 0.00 1.19 -1.40 0.00 0.00 179.01 179.04 2wmj n PHE 823 N -3.59 1.15 0.14 4.33 3.72 -0.93 -2.72 117.46 119.57 2wmj n PHE 823 Ca -0.01 -0.63 -0.01 0.00 -0.05 0.00 0.00 57.45 56.75 2wmj n PHE 823 Cb 0.37 -0.20 0.20 0.00 -0.94 0.00 0.00 39.48 38.91 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 3.24 0.05 -5.41 4.37 4.64 -1.49 -3.46 113.55 115.49 2wmj h SER 824 Ca 0.00 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 2wmj h SER 824 Cb 1.28 -0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 2wmj h SER 824 CO 0.17 0.60 -0.34 -0.94 -0.87 0.00 0.00 176.83 175.45 2wmj s SER 825 N -6.87 0.05 0.17 4.97 1.04 -1.26 -5.02 113.70 106.78 2wmj s SER 825 Ca -0.02 -1.15 -0.15 0.00 0.48 0.00 0.00 55.95 55.10 2wmj s SER 825 Cb 0.13 0.50 0.12 0.00 0.10 0.00 0.00 66.02 66.87 2wmj s SER 825 CO 0.76 -1.01 1.71 0.74 0.98 0.00 0.00 173.24 176.42 2wmj h THR 826 N 2.41 0.74 0.03 2.02 2.02 -1.91 -0.71 112.91 117.51 2wmj h THR 826 Ca -0.30 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2wmj h THR 826 Cb 1.25 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2wmj h THR 826 CO 0.43 0.03 -0.02 1.56 0.37 0.00 0.00 175.52 177.90 2wmj h GLN 827 N 0.16 -0.04 -0.67 6.66 4.20 -1.96 -2.31 115.11 121.16 2wmj h GLN 827 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2wmj h GLN 827 Cb 0.27 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2wmj h GLN 827 CO -0.30 0.06 0.38 0.00 -0.67 0.00 0.00 178.83 178.30 2wmj h ALA 828 N 0.83 1.41 -0.11 3.87 0.00 -1.80 -1.54 119.26 121.92 2wmj h ALA 828 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wmj h ALA 828 Cb 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wmj h ALA 828 CO 0.01 0.50 0.03 0.00 0.00 0.00 0.00 179.25 179.78 2wmj h ARG 829 N 0.92 0.17 -0.48 0.00 3.08 -0.92 -1.23 114.38 115.92 2wmj h ARG 829 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2wmj h ARG 829 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2wmj h ARG 829 CO -0.04 0.33 0.25 0.87 -1.07 0.00 0.00 179.97 180.31 2wmj h LYS 830 N -0.02 0.68 -0.12 0.04 1.57 -1.23 -0.39 116.57 117.09 2wmj h LYS 830 Ca 0.04 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2wmj h LYS 830 Cb 0.23 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2wmj h LYS 830 CO -0.00 0.54 -0.06 0.93 -0.57 0.00 0.00 179.45 180.30 2wmj h GLU 831 N 0.64 -0.04 0.15 3.15 5.08 -1.19 0.17 114.58 122.54 2wmj h GLU 831 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2wmj h GLU 831 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wmj h GLU 831 CO -0.03 -0.03 -0.07 -0.92 -1.00 0.00 0.00 179.01 176.96 2wmj h TYR 832 N -0.05 -0.18 -0.44 4.33 3.20 -1.11 -3.24 116.97 119.47 2wmj h TYR 832 Ca 0.07 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2wmj h TYR 832 Cb 0.15 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2wmj h TYR 832 CO -0.19 -0.02 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.23 2wmj h LEU 833 N -0.31 0.69 -2.02 2.82 3.38 -0.91 -2.93 115.31 116.03 2wmj h LEU 833 Ca -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2wmj h LEU 833 Cb 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wmj h LEU 833 CO 0.03 0.77 -0.10 0.78 0.09 0.00 0.00 178.44 180.02 2wmj h ASN 834 N 0.68 0.00 1.41 -0.43 2.35 -0.68 0.79 115.58 119.69 2wmj h ASN 834 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2wmj h ASN 834 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2wmj h ASN 834 CO 0.02 0.10 -0.31 0.11 -1.65 0.00 0.00 177.43 175.70 2wmj h LYS 835 N 0.00 0.00 0.00 0.81 1.79 -1.56 -3.35 116.57 114.26 2wmj h LYS 835 Ca -0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2wmj h LYS 835 Cb 0.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2wmj h LYS 835 CO 0.01 0.00 -2.00 1.28 -1.08 0.00 0.00 179.45 177.67 2wmj n LEU 836 N -2.54 0.00 -4.10 2.94 4.77 -0.53 -4.82 117.00 112.71 2wmj n LEU 836 Ca 0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 2wmj n LEU 836 Cb 0.48 0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.67 2wmj n LEU 836 CO 0.34 0.24 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.98 2wmj s TYR 837 N -2.74 3.42 0.58 -1.77 2.02 0.16 -4.96 117.35 114.05 2wmj s TYR 837 Ca -0.07 -2.32 -0.16 0.00 -0.37 0.00 0.00 57.07 54.14 2wmj s TYR 837 Cb 0.08 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2wmj s TYR 837 CO 0.70 -0.88 1.06 -1.25 -1.57 0.00 0.00 175.55 173.61 2wmj s PRO 838 N 1.12 3.37 0.04 -1.71 0.04 -1.26 -4.52 135.00 132.07 2wmj s PRO 838 Ca -0.01 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 2wmj s PRO 838 Cb -0.20 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2wmj s PRO 838 CO -0.04 -0.78 1.67 1.41 0.04 0.00 0.00 177.00 179.30 2wmj s MET 839 N -3.95 4.19 -0.04 4.56 1.75 -1.26 -4.88 119.30 119.67 2wmj s MET 839 Ca 0.64 2.31 0.06 0.00 -1.25 0.00 0.00 55.69 57.45 2wmj s MET 839 Cb -0.16 -3.72 0.09 0.00 2.84 0.00 0.00 34.83 33.87 2wmj s MET 839 CO 0.35 -0.77 1.01 0.27 -0.65 0.00 0.00 175.02 175.22 2wmj n ASN 840 N 6.07 1.88 -3.72 1.11 6.94 -1.26 -5.04 115.26 121.23 2wmj n ASN 840 Ca 0.16 -2.25 -0.05 0.00 -0.02 0.00 0.00 54.58 52.43 2wmj n ASN 840 Cb 0.41 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.44 -0.17 0.11 -2.53 -0.85 -1.26 -4.74 117.35 106.46 2wmj s TYR 841 Ca 0.09 -0.12 0.10 0.00 -0.52 0.00 0.00 57.07 56.62 2wmj s TYR 841 Cb 0.08 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 43.02 2wmj s TYR 841 CO 0.01 -0.83 -0.22 -1.21 -1.52 0.00 0.00 175.55 171.78 2wmj s GLU 842 N -3.34 1.65 0.00 -3.49 2.02 -0.98 -5.01 118.70 109.55 2wmj s GLU 842 Ca 0.11 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2wmj s GLU 842 Cb -0.02 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.18 2wmj s GLU 842 CO 0.01 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.17 2wmj n GLY 843 N 0.92 2.91 3.41 -1.39 0.00 -1.26 -0.95 105.19 108.83 2wmj n GLY 843 Ca -0.17 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 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 6.88 -0.13 1.61 2.15 -1.11 -4.90 116.67 121.17 2wmj s ASP 844 Ca 0.00 -2.67 -0.31 0.00 0.43 0.00 0.00 52.55 50.00 2wmj s ASP 844 Cb 0.00 -2.33 0.13 0.00 -0.30 0.00 0.00 42.92 40.42 2wmj s ASP 844 CO 0.00 -0.75 1.02 -0.51 -0.17 0.00 0.00 175.17 174.77 2wmj s ILE 845 N 1.20 0.00 0.00 4.11 2.07 -1.26 -4.03 121.20 123.29 2wmj s ILE 845 Ca 0.31 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.25 2wmj s ILE 845 Cb -0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 2wmj s ILE 845 CO -0.07 0.00 0.99 0.12 -1.91 0.00 0.00 174.94 174.08 2wmj s PHE 846 N -1.94 3.64 -0.06 3.50 5.36 -0.73 -4.61 117.98 123.15 2wmj s PHE 846 Ca 0.03 1.67 -0.10 0.00 -0.96 0.00 0.00 56.93 57.57 2wmj s PHE 846 Cb -0.01 -3.14 0.02 0.00 -0.34 0.00 0.00 43.02 39.55 2wmj s PHE 846 CO -0.03 -0.09 0.25 0.00 -1.46 0.00 0.00 175.22 173.89 2wmj s ALA 847 N 1.05 -0.62 -0.03 11.12 0.00 -1.26 -1.10 121.76 130.91 2wmj s ALA 847 Ca 0.52 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 2wmj s ALA 847 Cb -0.21 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2wmj s ALA 847 CO 0.28 -0.17 0.08 -1.14 0.00 0.00 0.00 175.76 174.80 2wmj s GLN 848 N -0.48 0.07 -0.16 0.00 0.74 -0.08 -2.26 119.66 117.49 2wmj s GLN 848 Ca -0.06 0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.45 2wmj s GLN 848 Cb -0.04 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 2wmj s GLN 848 CO 0.01 -0.06 0.07 0.21 -0.55 0.00 0.00 175.29 174.97 2wmj s LYS 849 N 0.41 3.75 -0.10 1.67 2.20 -1.26 -0.46 119.74 125.95 2wmj s LYS 849 Ca -0.03 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2wmj s LYS 849 Cb -0.04 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2wmj s LYS 849 CO -0.02 0.42 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.80 2wmj s LEU 850 N -0.05 1.35 0.00 5.43 1.43 -0.22 -5.01 118.68 121.60 2wmj s LEU 850 Ca 0.07 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2wmj s LEU 850 Cb -0.12 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2wmj s LEU 850 CO 0.01 -0.07 0.00 -0.90 0.23 0.00 0.00 176.35 175.62 2wmj n ASP 851 N 4.57 0.00 -1.28 2.29 5.75 -1.26 -0.58 116.55 126.04 2wmj n ASP 851 Ca -0.16 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.68 2wmj n ASP 851 Cb 0.51 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.86 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 3.98 3.74 -4.21 -1.12 5.03 -1.26 -4.91 115.26 116.50 2wmj n ASN 852 Ca 0.00 -2.40 -0.33 0.00 0.87 0.00 0.00 54.58 52.72 2wmj n ASN 852 Cb 0.00 -0.52 -0.16 0.00 -1.02 0.00 0.00 39.78 38.08 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 -1.87 3.11 -0.13 3.52 0.52 0.25 -1.51 118.95 122.84 2wmj s ARG 853 Ca 0.37 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 2wmj s ARG 853 Cb 0.25 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 2wmj s ARG 853 CO 0.16 -0.02 0.58 -1.58 0.02 0.00 0.00 175.30 174.46 2wmj s TRP 854 N 0.86 3.49 -0.17 -0.53 0.52 -0.36 -1.06 118.94 121.69 2wmj s TRP 854 Ca -0.05 1.00 -0.04 0.00 0.02 0.00 0.00 56.10 57.02 2wmj s TRP 854 Cb -0.15 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 2wmj s TRP 854 CO -0.02 0.05 -0.02 -0.06 0.02 0.00 0.00 176.95 176.92 2wmj s PHE 855 N 1.03 3.04 -0.01 -1.98 0.08 0.39 -0.87 117.98 119.66 2wmj s PHE 855 Ca 0.30 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.03 2wmj s PHE 855 Cb -0.16 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.29 2wmj s PHE 855 CO 0.13 -0.09 -0.05 0.08 -0.10 0.00 0.00 175.22 175.19 2wmj s VAL 856 N 0.56 0.38 0.02 -0.44 1.01 -0.27 -0.90 120.40 120.76 2wmj s VAL 856 Ca -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2wmj s VAL 856 Cb -0.14 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2wmj s VAL 856 CO 0.02 0.11 0.22 -0.72 0.00 0.00 0.00 175.10 174.74 2wmj s TYR 857 N -0.04 -0.01 -0.12 5.22 -0.85 -0.25 -0.52 117.35 120.77 2wmj s TYR 857 Ca 0.01 -0.13 -0.29 0.00 -0.52 0.00 0.00 57.07 56.14 2wmj s TYR 857 Cb -0.03 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2wmj s TYR 857 CO -0.00 -0.41 1.23 1.21 -1.52 0.00 0.00 175.55 176.05 2wmj s ASN 858 N -1.83 7.00 0.00 -0.18 3.84 -1.00 -1.76 114.94 120.99 2wmj s ASN 858 Ca -0.08 1.72 0.28 0.00 0.21 0.00 0.00 52.86 55.00 2wmj s ASN 858 Cb -0.03 -2.55 1.18 0.00 -0.55 0.00 0.00 41.25 39.31 2wmj s ASN 858 CO -0.01 -0.68 1.82 0.00 -2.79 0.00 0.00 177.10 175.43 2wmj n TYR 859 N 6.03 0.01 -1.96 0.43 0.18 -1.26 -4.35 117.16 116.24 2wmj n TYR 859 Ca 0.13 -0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.49 2wmj n TYR 859 Cb 0.45 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.39 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 -1.99 4.23 -0.19 -3.48 -0.14 -1.26 -4.92 119.74 111.99 2wmj s LYS 860 Ca 0.39 2.37 -0.18 0.00 -1.36 0.00 0.00 55.97 57.20 2wmj s LYS 860 Cb 0.21 -3.08 -0.14 0.00 -1.68 0.00 0.00 37.83 33.14 2wmj s LYS 860 CO 0.34 -0.46 0.08 0.28 -0.76 0.00 0.00 175.35 174.83 2wmj n VAL 861 N 2.11 1.50 -2.63 3.17 0.31 -1.26 -4.54 118.33 116.99 2wmj n VAL 861 Ca 0.06 0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 2wmj n VAL 861 Cb 0.40 -2.14 0.03 0.00 -0.91 0.00 0.00 33.84 31.22 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 -4.48 0.98 -3.88 4.52 4.05 -1.26 -4.99 115.26 110.20 2wmj n ASN 862 Ca -0.26 -2.02 -0.21 0.00 0.45 0.00 0.00 54.58 52.54 2wmj n ASN 862 Cb 0.57 -0.28 -0.17 0.00 1.23 0.00 0.00 39.78 41.13 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 -1.65 0.86 -1.31 1.20 8.01 -1.26 -4.17 118.70 120.37 2wmj s GLU 863 Ca 0.27 -0.09 -0.14 0.00 0.01 0.00 0.00 54.97 55.02 2wmj s GLU 863 Cb 0.34 -0.92 0.11 0.00 -4.31 0.00 0.00 34.13 29.35 2wmj s GLU 863 CO -0.10 -0.12 1.81 -1.71 0.01 0.00 0.00 175.26 175.15 2wmj n ASN 864 N 4.26 4.79 -3.95 -0.19 5.15 -1.26 -4.83 115.26 119.22 2wmj n ASN 864 Ca -0.21 -2.96 -0.27 0.00 -0.60 0.00 0.00 54.58 50.54 2wmj n ASN 864 Cb 0.51 -1.63 -0.17 0.00 -0.53 0.00 0.00 39.78 37.96 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 2.50 1.14 0.47 3.44 1.01 -1.26 -5.03 120.40 122.66 2wmj s VAL 865 Ca 0.46 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 2wmj s VAL 865 Cb 0.06 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 2wmj s VAL 865 CO 0.00 0.38 1.24 -0.54 0.00 0.00 0.00 175.10 176.19 2wmj s LYS 866 N 1.45 3.65 0.14 2.72 3.01 -1.26 -4.08 119.74 125.37 2wmj s LYS 866 Ca 0.01 1.97 0.08 0.00 -1.01 0.00 0.00 55.97 57.01 2wmj s LYS 866 Cb -0.13 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.20 2wmj s LYS 866 CO -0.06 -0.70 -0.17 -0.65 0.51 0.00 0.00 175.35 174.28 2wmj s GLN 867 N -2.65 1.16 0.03 1.68 -0.21 -0.06 -4.98 119.66 114.63 2wmj s GLN 867 Ca 0.64 -1.31 0.03 0.00 0.02 0.00 0.00 55.36 54.74 2wmj s GLN 867 Cb -0.34 -1.19 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 2wmj s GLN 867 CO 0.41 0.24 -0.08 0.95 -2.12 0.00 0.00 175.29 174.69 2wmj s THR 868 N -1.94 0.61 0.05 -0.19 -4.23 -1.26 -1.11 115.64 107.59 2wmj s THR 868 Ca 0.12 -0.90 -0.13 0.00 -1.18 0.00 0.00 61.69 59.60 2wmj s THR 868 Cb -0.06 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.17 2wmj s THR 868 CO 0.05 -0.22 0.28 -0.83 -0.54 0.00 0.00 174.62 173.36 2wmj s GLY 869 N -1.23 -0.08 -0.22 3.99 0.00 -1.09 -2.76 107.32 105.93 2wmj s GLY 869 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2wmj s GLY 869 CO 0.00 -0.33 -0.14 1.25 0.00 0.00 0.00 173.10 173.89 2wmj s LYS 870 N -2.82 2.82 0.06 2.90 2.20 -0.13 -1.51 119.74 123.26 2wmj s LYS 870 Ca -0.03 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.69 2wmj s LYS 870 Cb 0.00 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2wmj s LYS 870 CO -0.05 -0.33 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.95 2wmj s LEU 871 N 1.27 2.79 0.01 5.43 2.01 0.35 -2.31 118.68 128.24 2wmj s LEU 871 Ca 0.01 -0.39 0.08 0.00 0.01 0.00 0.00 54.13 53.84 2wmj s LEU 871 Cb -0.15 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.39 2wmj s LEU 871 CO -0.09 0.23 -0.25 -0.54 1.01 0.00 0.00 176.35 176.72 2wmj s LYS 872 N -1.69 1.87 -0.54 1.70 1.02 -1.26 -0.07 119.74 120.78 2wmj s LYS 872 Ca 0.17 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2wmj s LYS 872 Cb -0.11 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.44 2wmj s LYS 872 CO 0.08 0.51 0.29 -0.06 -0.92 0.00 0.00 175.35 175.25 2wmj s PHE 873 N -0.67 3.23 0.00 3.18 0.08 -0.20 -4.97 117.98 118.64 2wmj s PHE 873 Ca 0.10 -3.09 0.00 0.00 0.12 0.00 0.00 56.93 54.06 2wmj s PHE 873 Cb -0.10 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2wmj s PHE 873 CO 0.00 -0.76 0.00 0.09 -0.10 0.00 0.00 175.22 174.45 2wmj n ASN 874 N 3.19 0.00 -0.02 1.36 4.13 -1.26 -2.44 115.26 120.22 2wmj n ASN 874 Ca 0.06 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.29 2wmj n ASN 874 Cb 0.33 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.55 2wmj n ASN 874 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wmj n SER 875 N 6.54 3.92 -4.71 6.41 3.41 -1.26 -4.79 113.62 123.14 2wmj n SER 875 Ca 0.00 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2wmj n SER 875 Cb 0.00 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2wmj n SER 875 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wmj s LEU 876 N -4.77 4.36 -0.16 1.04 2.96 -1.02 -4.81 118.68 116.28 2wmj s LEU 876 Ca -0.04 2.17 -0.03 0.00 -0.22 0.00 0.00 54.13 56.01 2wmj s LEU 876 Cb 0.01 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 2wmj s LEU 876 CO 0.11 -0.60 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.78 2wmj s GLU 877 N 1.36 3.55 -0.21 1.98 2.12 -0.88 -1.03 118.70 125.59 2wmj s GLU 877 Ca 0.62 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 55.38 2wmj s GLU 877 Cb -0.33 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.25 2wmj s GLU 877 CO 0.29 0.17 -0.12 1.41 -0.54 0.00 0.00 175.26 176.47 2wmj s MET 878 N 0.52 2.22 -0.13 4.30 -2.45 0.90 -1.10 119.30 123.57 2wmj s MET 878 Ca -0.05 -0.94 -0.06 0.00 -1.25 0.00 0.00 55.69 53.39 2wmj s MET 878 Cb -0.15 -2.53 -0.04 0.00 1.25 0.00 0.00 34.83 33.36 2wmj s MET 878 CO 0.03 -0.42 0.08 -0.80 1.05 0.00 0.00 175.02 174.96 2wmj s ASN 879 N 1.32 5.89 0.10 1.11 0.01 0.59 -0.49 114.94 123.46 2wmj s ASN 879 Ca -0.02 0.27 0.08 0.00 -0.71 0.00 0.00 52.86 52.48 2wmj s ASN 879 Cb -0.16 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 2wmj s ASN 879 CO -0.08 0.32 -0.20 0.68 -1.51 0.00 0.00 177.10 176.31 2wmj s VAL 880 N -0.51 1.60 -0.14 1.60 -7.23 -0.57 0.05 120.40 115.21 2wmj s VAL 880 Ca 0.11 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2wmj s VAL 880 Cb -0.12 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.39 2wmj s VAL 880 CO 0.02 -0.09 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.97 2wmj s GLU 881 N -1.87 1.29 -0.12 4.82 2.12 0.27 -2.69 118.70 122.52 2wmj s GLU 881 Ca 0.05 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2wmj s GLU 881 Cb -0.10 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.58 2wmj s GLU 881 CO 0.04 -0.37 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.11 2wmj s PHE 882 N 1.73 2.64 0.95 5.30 0.40 -0.26 -2.15 117.98 126.58 2wmj s PHE 882 Ca 0.03 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.14 2wmj s PHE 882 Cb -0.14 -1.77 0.16 0.00 0.51 0.00 0.00 43.02 41.78 2wmj s PHE 882 CO -0.08 -0.46 1.10 -1.21 0.70 0.00 0.00 175.22 175.27 2wmj s GLU 883 N 0.53 0.84 0.82 0.44 2.02 -1.26 -0.88 118.70 121.20 2wmj s GLU 883 Ca -0.13 0.56 -0.14 0.00 0.02 0.00 0.00 54.97 55.28 2wmj s GLU 883 Cb -0.17 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.31 2wmj s GLU 883 CO 0.04 -2.47 0.72 -2.30 0.02 0.00 0.00 175.26 171.28 2wmj n PRO 884 N -4.00 0.09 -3.57 0.39 -0.02 -1.26 -3.61 135.00 123.02 2wmj n PRO 884 Ca 0.06 0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.43 2wmj n PRO 884 Cb 0.57 -2.04 0.06 0.00 -0.02 0.00 0.00 33.50 32.07 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 -3.04 -2.06 -3.89 6.00 8.25 -1.26 -5.00 115.22 114.23 2wmj n HIS 885 Ca 0.10 0.89 -0.21 0.00 -0.26 0.00 0.00 57.72 58.25 2wmj n HIS 885 Cb 0.51 -4.73 -0.17 0.00 1.12 0.00 0.00 29.99 26.72 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 -3.52 0.34 0.13 1.59 2.01 -1.24 -4.35 115.64 110.61 2wmj s THR 886 Ca 0.02 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.19 2wmj s THR 886 Cb -0.01 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2wmj s THR 886 CO 0.77 0.22 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.99 2wmj s TYR 887 N 1.55 1.97 0.02 4.92 -0.85 -0.39 -2.39 117.35 122.18 2wmj s TYR 887 Ca -0.02 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 2wmj s TYR 887 Cb -0.13 -1.04 -0.01 0.00 0.38 0.00 0.00 41.96 41.15 2wmj s TYR 887 CO -0.03 0.30 -0.05 0.20 -1.52 0.00 0.00 175.55 174.45 2wmj s GLY 888 N -2.21 0.30 -0.15 5.49 0.00 0.32 -1.04 107.32 110.03 2wmj s GLY 888 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2wmj s GLY 888 CO 0.06 -0.48 -0.15 -0.42 0.00 0.00 0.00 173.10 172.11 2wmj s ILE 889 N -0.83 1.62 -0.26 0.90 1.01 0.52 -1.11 121.20 123.05 2wmj s ILE 889 Ca -0.06 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2wmj s ILE 889 Cb -0.06 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 40.95 2wmj s ILE 889 CO -0.00 0.47 -0.10 -0.36 0.00 0.00 0.00 174.94 174.94 2wmj s PHE 890 N 1.47 3.26 -0.20 3.97 0.08 -0.05 -0.83 117.98 125.68 2wmj s PHE 890 Ca 0.05 -2.28 -0.01 0.00 0.12 0.00 0.00 56.93 54.80 2wmj s PHE 890 Cb -0.13 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2wmj s PHE 890 CO -0.11 -0.87 -0.13 -2.00 -0.10 0.00 0.00 175.22 172.01 2wmj s GLU 891 N 1.11 3.18 -0.07 0.44 2.12 0.68 -1.23 118.70 124.93 2wmj s GLU 891 Ca -0.08 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 2wmj s GLU 891 Cb -0.20 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2wmj s GLU 891 CO -0.05 -0.20 1.46 0.50 -0.54 0.00 0.00 175.26 176.44 2wmj s ARG 892 N 1.36 4.23 0.38 4.30 6.06 -0.57 0.44 118.95 135.16 2wmj s ARG 892 Ca 0.05 1.97 0.07 0.00 -2.50 0.00 0.00 55.73 55.32 2wmj s ARG 892 Cb -0.14 -3.79 -0.07 0.00 0.06 0.00 0.00 34.95 31.01 2wmj s ARG 892 CO -0.08 -0.72 -0.01 0.96 -2.50 0.00 0.00 175.30 172.95 2wmj s ILE 893 N 3.35 1.98 0.24 4.11 -4.36 -0.73 -4.90 121.20 120.88 2wmj s ILE 893 Ca 0.65 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 2wmj s ILE 893 Cb -0.29 -2.88 0.20 0.00 1.25 0.00 0.00 42.46 40.74 2wmj s ILE 893 CO 0.24 -0.06 1.78 0.77 0.24 0.00 0.00 174.94 177.92 2wmj h SER 894 N 1.88 0.53 -0.69 4.36 4.64 -2.01 -2.71 113.55 119.55 2wmj h SER 894 Ca -0.43 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2wmj h SER 894 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2wmj h SER 894 CO 0.77 0.29 0.00 -0.46 -0.87 0.00 0.00 176.83 176.56 2wmj n ASN 895 N -4.83 4.28 0.00 4.97 6.94 -1.26 -5.01 115.26 120.34 2wmj n ASN 895 Ca 0.13 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 2wmj n ASN 895 Cb 0.30 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 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 1.42 -0.38 2.84 4.83 0.00 -1.02 -0.70 105.19 112.18 2wmj n GLY 896 Ca 0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 0.67 -0.01 0.99 2.96 -0.28 -1.78 118.68 121.23 2wmj s LEU 897 Ca 0.00 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.95 2wmj s LEU 897 Cb 0.00 0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.81 2wmj s LEU 897 CO 0.00 -0.16 0.44 -0.75 -1.32 0.00 0.00 176.35 174.56 2wmj s LYS 898 N 1.38 4.04 -0.10 1.98 2.47 0.17 -0.89 119.74 128.79 2wmj s LYS 898 Ca -0.06 0.46 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 2wmj s LYS 898 Cb -0.12 -3.26 0.02 0.00 -1.46 0.00 0.00 37.83 33.00 2wmj s LYS 898 CO -0.05 0.58 -0.12 0.08 0.16 0.00 0.00 175.35 176.01 2wmj s VAL 899 N -0.76 1.22 -0.16 4.02 1.01 0.01 -0.23 120.40 125.51 2wmj s VAL 899 Ca 0.25 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wmj s VAL 899 Cb -0.17 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2wmj s VAL 899 CO 0.14 0.39 -0.17 0.20 0.00 0.00 0.00 175.10 175.65 2wmj s ASN 900 N 1.14 3.46 -0.03 3.32 0.01 -0.01 -1.68 114.94 121.14 2wmj s ASN 900 Ca -0.05 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 2wmj s ASN 900 Cb -0.14 -1.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.99 2wmj s ASN 900 CO -0.02 0.07 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.28 2wmj s LEU 901 N 0.91 1.88 -0.11 0.60 2.96 0.06 -0.35 118.68 124.62 2wmj s LEU 901 Ca -0.04 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2wmj s LEU 901 Cb -0.15 -0.76 0.04 0.00 0.50 0.00 0.00 46.19 45.82 2wmj s LEU 901 CO -0.02 0.12 0.02 0.21 -1.32 0.00 0.00 176.35 175.36 2wmj s ASN 902 N 0.04 1.99 -0.09 3.68 3.84 -0.21 -0.13 114.94 124.06 2wmj s ASN 902 Ca -0.02 -0.32 0.17 0.00 0.21 0.00 0.00 52.86 52.89 2wmj s ASN 902 Cb -0.09 -0.44 0.36 0.00 -0.55 0.00 0.00 41.25 40.52 2wmj s ASN 902 CO 0.01 -0.24 1.16 -0.46 -2.79 0.00 0.00 177.10 174.78 2wmj n ASN 903 N 5.14 1.27 -4.66 -4.21 6.94 -0.70 -1.26 115.26 117.78 2wmj n ASN 903 Ca -0.07 -2.79 -0.42 0.00 -0.02 0.00 0.00 54.58 51.28 2wmj n ASN 903 Cb 0.49 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.50 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 -1.45 1.52 -0.27 -2.53 5.36 -1.21 -4.20 117.98 115.20 2wmj s PHE 904 Ca 0.31 -0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 2wmj s PHE 904 Cb 0.32 -4.17 0.16 0.00 -0.34 0.00 0.00 43.02 38.99 2wmj s PHE 904 CO -0.09 -5.15 0.50 0.50 -1.46 0.00 0.00 175.22 169.51 2wmj s ARG 905 N 4.16 0.46 0.67 10.12 3.52 -1.26 -1.38 118.95 135.24 2wmj s ARG 905 Ca 0.85 0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 57.18 2wmj s ARG 905 Cb -0.41 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2wmj s ARG 905 CO 0.39 -0.60 1.02 0.95 -0.81 0.00 0.00 175.30 176.25 2wmj s THR 906 N 2.71 3.22 -0.39 4.11 -4.23 -1.26 -3.33 115.64 116.47 2wmj s THR 906 Ca 0.15 0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.58 2wmj s THR 906 Cb -0.15 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.35 2wmj s THR 906 CO -0.18 -0.41 0.72 0.21 -0.54 0.00 0.00 174.62 174.42 2wmj s ASN 907 N -4.38 6.46 0.00 3.99 2.47 0.01 -4.69 114.94 118.79 2wmj s ASN 907 Ca 0.57 0.12 0.23 0.00 0.42 0.00 0.00 52.86 54.21 2wmj s ASN 907 Cb -0.11 -2.36 0.44 0.00 -1.45 0.00 0.00 41.25 37.77 2wmj s ASN 907 CO 0.48 -0.73 1.41 0.29 -3.72 0.00 0.00 177.10 174.82 2wmj n LYS 908 N 6.35 2.34 -0.24 0.43 4.76 -1.26 -4.63 118.16 125.90 2wmj n LYS 908 Ca 0.01 -2.00 0.18 0.00 -2.87 0.00 0.00 58.31 53.63 2wmj n LYS 908 Cb 0.48 -1.49 0.49 0.00 -1.84 0.00 0.00 35.03 32.68 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 4.15 0.44 -0.31 4.39 3.32 -1.97 -2.08 116.42 124.35 2wmj h ASP 909 Ca 0.00 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.18 2wmj h ASP 909 Cb 0.90 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2wmj h ASP 909 CO 0.00 0.18 0.23 0.77 -1.72 0.00 0.00 179.24 178.71 2wmj h SER 910 N 0.44 0.00 0.54 6.45 4.64 -1.99 0.25 113.55 123.88 2wmj h SER 910 Ca 0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 2wmj h SER 910 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2wmj h SER 910 CO -0.18 0.00 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.55 2wmj h LEU 911 N 0.00 0.00 -2.91 5.97 3.38 -1.75 -3.12 115.31 116.88 2wmj h LEU 911 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wmj h LEU 911 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wmj h LEU 911 CO -0.00 0.16 0.00 0.79 0.09 0.00 0.00 178.44 179.47 2wmj n TRP 912 N -3.55 0.49 -1.24 1.13 7.02 0.84 -5.00 117.44 117.12 2wmj n TRP 912 Ca -0.01 -0.52 -0.36 0.00 -1.02 0.00 0.00 57.50 55.58 2wmj n TRP 912 Cb 0.30 -0.04 0.07 0.00 -2.42 0.00 0.00 31.31 29.22 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 0.45 -1.31 0.00 -0.99 7.64 -0.92 -2.84 113.62 115.65 2wmj n SER 913 Ca 0.12 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2wmj n SER 913 Cb 0.45 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.23 -3.58 -3.78 6.43 3.02 -1.26 -4.97 115.26 110.89 2wmj n ASN 914 Ca 0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 2wmj n ASN 914 Cb 0.50 -1.72 -0.16 0.00 -0.61 0.00 0.00 39.78 37.80 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 -1.75 1.39 -0.55 5.41 0.00 -1.13 -4.90 121.76 120.23 2wmj s ALA 915 Ca 0.00 -1.17 0.24 0.00 0.00 0.00 0.00 51.96 51.03 2wmj s ALA 915 Cb 0.00 -1.38 0.26 0.00 0.00 0.00 0.00 23.12 21.99 2wmj s ALA 915 CO 0.00 -1.35 1.25 1.96 0.00 0.00 0.00 175.76 177.63 2wmj h GLN 916 N 8.13 0.00 -4.28 0.00 7.50 -1.93 -3.46 115.11 121.07 2wmj h GLN 916 Ca -0.16 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.73 2wmj h GLN 916 Cb 1.07 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.50 2wmj h GLN 916 CO 0.40 0.00 -0.32 0.16 -1.50 0.00 0.00 178.83 177.57 2wmj s ASP 917 N -4.50 0.74 0.28 1.46 1.47 -1.26 -5.06 116.67 109.81 2wmj s ASP 917 Ca 0.05 -1.43 -0.02 0.00 1.18 0.00 0.00 52.55 52.33 2wmj s ASP 917 Cb 0.12 0.57 0.40 0.00 -0.34 0.00 0.00 42.92 43.68 2wmj s ASP 917 CO 0.74 -1.14 1.89 0.00 0.68 0.00 0.00 175.17 177.34 2wmj h ALA 918 N 2.24 1.29 -0.51 2.11 0.00 -1.91 -1.32 119.26 121.17 2wmj h ALA 918 Ca -0.29 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2wmj h ALA 918 Cb 1.24 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wmj h ALA 918 CO 0.41 0.55 0.27 -0.97 0.00 0.00 0.00 179.25 179.51 2wmj h ASN 919 N 0.98 0.41 -0.19 0.00 -0.00 -1.95 -1.72 115.58 113.11 2wmj h ASN 919 Ca 0.24 0.02 -0.13 0.00 -0.00 0.00 0.00 56.30 56.43 2wmj h ASN 919 Cb 0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 2wmj h ASN 919 CO -0.03 0.28 -0.34 1.56 -0.00 0.00 0.00 177.43 178.90 2wmj h GLN 920 N 0.53 0.71 -0.62 6.67 4.20 -1.87 -3.25 115.11 121.48 2wmj h GLN 920 Ca 0.22 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 2wmj h GLN 920 Cb 0.10 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2wmj h GLN 920 CO -0.14 0.94 0.14 0.00 -0.67 0.00 0.00 178.83 179.11 2wmj h ALA 921 N 1.03 0.82 -0.31 3.87 0.00 -0.97 -2.39 119.26 121.30 2wmj h ALA 921 Ca 0.06 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.83 2wmj h ALA 921 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2wmj h ALA 921 CO 0.07 0.53 0.24 -0.22 0.00 0.00 0.00 179.25 179.88 2wmj h LYS 922 N 0.91 0.00 -0.05 0.00 3.64 -1.35 -2.70 116.57 117.02 2wmj h LYS 922 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2wmj h LYS 922 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2wmj h LYS 922 CO 0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 2wmj n LYS 923 N -4.30 2.29 -1.15 1.90 5.02 -0.93 -4.86 118.16 116.14 2wmj n LYS 923 Ca 0.05 -1.93 -0.34 0.00 -2.02 0.00 0.00 58.31 54.06 2wmj n LYS 923 Cb 0.41 -1.46 0.11 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.34 2.77 -4.76 -0.35 4.77 -1.02 -4.94 117.00 114.81 2wmj n LEU 924 Ca 0.14 0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 56.31 2wmj n LEU 924 Cb 0.59 -1.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.32 2wmj n LEU 924 CO 0.15 -2.36 0.92 -2.16 -1.33 0.00 0.00 177.39 172.61 2wmj s PRO 925 N -3.57 3.53 0.22 3.23 0.04 -1.26 -4.91 135.00 132.27 2wmj s PRO 925 Ca 0.69 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.45 2wmj s PRO 925 Cb -0.30 -2.40 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 2wmj s PRO 925 CO 0.55 -0.81 1.65 -0.65 0.04 0.00 0.00 177.00 177.77 2wmj s GLN 926 N -2.71 4.15 0.20 4.56 -1.52 -1.26 -4.89 119.66 118.18 2wmj s GLN 926 Ca 0.66 2.54 -0.05 0.00 -1.95 0.00 0.00 55.36 56.55 2wmj s GLN 926 Cb -0.35 -3.08 0.15 0.00 -0.22 0.00 0.00 33.01 29.50 2wmj s GLN 926 CO 0.43 -0.68 1.60 1.25 -0.25 0.00 0.00 175.29 177.64 2wmj h LEU 927 N 6.28 0.82 0.00 2.90 5.85 -1.93 -3.50 115.31 125.73 2wmj h LEU 927 Ca -0.44 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 57.97 2wmj h LEU 927 Cb 1.21 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2wmj h LEU 927 CO 0.90 1.03 0.00 0.41 -0.34 0.00 0.00 178.44 180.45 2wmj n THR 928 N -4.10 0.00 0.24 1.05 -1.04 -1.26 -3.62 114.28 105.55 2wmj n THR 928 Ca -0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2wmj n THR 928 Cb 0.45 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.71 -0.87 -2.82 3.64 -1.97 0.23 116.57 114.07 2wmj h LYS 929 Ca 0.00 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2wmj h LYS 929 Cb 0.00 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 2wmj h LYS 929 CO 0.00 -0.48 0.57 0.87 -2.27 0.00 0.00 179.45 178.14 2wmj h LYS 930 N -0.74 1.04 -0.66 1.90 1.57 -2.00 -2.34 116.57 115.33 2wmj h LYS 930 Ca -0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2wmj h LYS 930 Cb 0.65 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2wmj h LYS 930 CO -0.03 0.69 0.29 0.78 -0.57 0.00 0.00 179.45 180.60 2wmj h GLY 931 N 1.08 1.05 1.05 3.86 0.00 -1.54 -1.67 103.07 106.90 2wmj h GLY 931 Ca 0.35 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2wmj h GLY 931 CO -0.10 0.52 -0.16 0.00 0.00 0.00 0.00 176.54 176.79 2wmj h ALA 932 N 1.13 0.62 -0.60 3.60 0.00 -0.59 -0.68 119.26 122.74 2wmj h ALA 932 Ca 0.22 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wmj h ALA 932 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2wmj h ALA 932 CO -0.02 0.56 0.38 0.82 0.00 0.00 0.00 179.25 181.00 2wmj h ILE 933 N 0.74 1.12 -0.63 0.00 2.04 -1.37 -1.27 117.51 118.14 2wmj h ILE 933 Ca 0.11 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2wmj h ILE 933 Cb 0.72 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2wmj h ILE 933 CO 0.06 0.14 0.29 0.50 0.00 0.00 0.00 178.15 179.14 2wmj h LYS 934 N 0.78 0.90 -0.61 2.37 3.11 -1.15 -1.76 116.57 120.21 2wmj h LYS 934 Ca 0.23 -0.12 -0.06 0.00 -2.81 0.00 0.00 60.65 57.88 2wmj h LYS 934 Cb -0.05 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 30.99 2wmj h LYS 934 CO -0.07 0.70 0.14 2.35 -2.81 0.00 0.00 179.45 179.77 2wmj h TRP 935 N 0.89 1.02 -0.08 1.91 7.01 -0.40 -1.21 115.95 125.10 2wmj h TRP 935 Ca 0.22 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 61.11 2wmj h TRP 935 Cb 0.11 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 2wmj h TRP 935 CO 0.01 0.87 -0.03 0.82 -2.79 0.00 0.00 178.44 177.32 2wmj h ILE 936 N 0.88 0.90 -0.62 2.65 2.04 -0.95 0.16 117.51 122.58 2wmj h ILE 936 Ca 0.19 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.14 2wmj h ILE 936 Cb 0.36 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2wmj h ILE 936 CO 0.00 0.00 0.24 -0.33 0.00 0.00 0.00 178.15 178.07 2wmj h GLU 937 N -0.02 0.42 0.00 2.37 5.08 -0.98 0.27 114.58 121.72 2wmj h GLU 937 Ca 0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2wmj h GLU 937 Cb 0.08 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2wmj h GLU 937 CO -0.09 0.28 -1.73 0.39 -1.00 0.00 0.00 179.01 176.86 2wmj n GLU 938 N -4.98 0.64 0.00 2.33 -0.58 -0.49 -3.84 120.64 113.73 2wmj n GLU 938 Ca 0.09 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2wmj n GLU 938 Cb 0.27 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2wmj n GLU 938 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wmj n HIS 939 N -2.76 0.00 0.00 -0.32 8.25 0.55 -4.45 115.22 116.49 2wmj n HIS 939 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2wmj n HIS 939 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.05 0.00 -0.27 4.41 9.36 -0.34 -3.95 117.16 126.32 2wmj n TYR 940 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 2wmj n TYR 940 Cb 0.14 0.02 0.06 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.00 1.23 -3.46 2.97 1.08 -0.73 -3.41 117.51 115.19 2wmj h ILE 941 Ca 0.00 -0.64 -0.36 0.00 -0.39 0.00 0.00 64.86 63.48 2wmj h ILE 941 Cb 0.96 0.30 -0.14 0.00 -3.07 0.00 0.00 36.82 34.87 2wmj h ILE 941 CO 0.00 0.27 -0.65 -1.59 -0.69 0.00 0.00 178.15 175.49 2wmj s LYS 942 N -5.75 1.30 -1.45 2.37 -2.85 -1.25 -4.82 119.74 107.29 2wmj s LYS 942 Ca -0.13 -1.66 -0.12 0.00 -1.00 0.00 0.00 55.97 53.06 2wmj s LYS 942 Cb 0.15 -0.50 0.09 0.00 -2.06 0.00 0.00 37.83 35.50 2wmj s LYS 942 CO 0.81 -0.13 0.69 -0.25 0.10 0.00 0.00 175.35 176.57 2wmj n ASP 943 N -0.39 -4.13 -4.77 0.03 8.00 -1.26 -3.27 116.55 110.76 2wmj n ASP 943 Ca -0.05 -0.60 -0.40 0.00 0.71 0.00 0.00 54.79 54.45 2wmj n ASP 943 Cb 0.64 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 2wmj n ASP 943 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wmj s THR 944 N -3.11 3.03 -1.04 -3.53 -1.32 -1.25 -4.74 115.64 103.66 2wmj s THR 944 Ca 0.53 0.99 -0.15 0.00 -1.21 0.00 0.00 61.69 61.85 2wmj s THR 944 Cb -0.28 -3.61 0.17 0.00 -1.51 0.00 0.00 72.50 67.27 2wmj s THR 944 CO 0.66 0.20 1.21 -1.10 -2.21 0.00 0.00 174.62 173.38 2wmj s GLN 945 N -1.82 3.85 0.60 7.08 -1.52 -1.26 -5.02 119.66 121.57 2wmj s GLN 945 Ca 0.50 -2.29 -0.18 0.00 -1.95 0.00 0.00 55.36 51.44 2wmj s GLN 945 Cb -0.35 -4.89 -0.03 0.00 -0.22 0.00 0.00 33.01 27.51 2wmj s GLN 945 CO 0.46 -1.67 1.16 -0.06 -0.25 0.00 0.00 175.29 174.93 2wmj s PHE 946 N 1.64 2.50 1.10 0.91 0.08 -1.26 -0.81 117.98 122.13 2wmj s PHE 946 Ca 0.35 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.77 2wmj s PHE 946 Cb -0.05 -3.35 0.24 0.00 -0.57 0.00 0.00 43.02 39.29 2wmj s PHE 946 CO -0.06 -1.93 1.17 0.20 -0.10 0.00 0.00 175.22 174.50 2wmj s GLY 947 N -1.91 1.63 0.29 4.36 0.00 -1.21 -4.34 107.32 106.15 2wmj s GLY 947 Ca 0.73 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 2wmj s GLY 947 CO 0.34 -0.13 0.69 -0.54 0.00 0.00 0.00 173.10 173.46 2wmj s GLU 948 N -5.50 3.98 0.34 2.90 2.02 -1.26 -4.96 118.70 116.22 2wmj s GLU 948 Ca 0.71 0.59 -0.26 0.00 0.02 0.00 0.00 54.97 56.03 2wmj s GLU 948 Cb -0.09 -2.52 -0.13 0.00 0.10 0.00 0.00 34.13 31.48 2wmj s GLU 948 CO 0.55 0.22 0.87 1.63 0.02 0.00 0.00 175.26 178.55 2wmj n LYS 949 N -0.20 1.08 -4.09 1.61 5.02 -1.26 -4.68 118.16 115.63 2wmj n LYS 949 Ca 0.02 0.38 -0.09 0.00 -2.02 0.00 0.00 58.31 56.61 2wmj n LYS 949 Cb 0.53 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 2wmj n LYS 949 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wmj s ARG 950 N -1.63 0.62 -0.03 1.97 1.70 0.35 -4.79 118.95 117.14 2wmj s ARG 950 Ca 0.61 -1.13 -0.16 0.00 -0.47 0.00 0.00 55.73 54.58 2wmj s ARG 950 Cb -0.66 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 33.70 2wmj s ARG 950 CO 0.58 -0.06 0.44 0.08 -1.08 0.00 0.00 175.30 175.27 2wmj s VAL 951 N -3.28 5.05 -0.06 4.99 1.01 -1.26 -1.74 120.40 125.12 2wmj s VAL 951 Ca 0.04 0.91 0.06 0.00 0.00 0.00 0.00 61.98 62.98 2wmj s VAL 951 Cb 0.03 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2wmj s VAL 951 CO -0.06 0.49 -0.23 -0.89 0.00 0.00 0.00 175.10 174.40 2wmj s THR 952 N -0.48 1.92 -0.07 3.92 2.01 0.10 -4.49 115.64 118.55 2wmj s THR 952 Ca 0.25 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2wmj s THR 952 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2wmj s THR 952 CO 0.13 0.54 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.89 2wmj s LYS 953 N -0.09 2.77 -0.08 4.92 1.02 -0.91 -0.47 119.74 126.89 2wmj s LYS 953 Ca -0.04 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2wmj s LYS 953 Cb -0.14 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2wmj s LYS 953 CO 0.04 0.45 -0.06 0.42 -0.92 0.00 0.00 175.35 175.28 2wmj s ILE 954 N -0.29 0.81 -0.16 2.17 1.01 -0.23 -0.56 121.20 123.94 2wmj s ILE 954 Ca 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 2wmj s ILE 954 Cb -0.13 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2wmj s ILE 954 CO 0.03 0.31 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 2wmj s VAL 955 N 1.44 3.00 -0.21 2.92 1.01 0.11 -0.16 120.40 128.51 2wmj s VAL 955 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2wmj s VAL 955 Cb -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2wmj s VAL 955 CO -0.04 0.50 -0.01 -0.76 0.00 0.00 0.00 175.10 174.79 2wmj s LEU 956 N 0.83 3.16 0.08 3.92 1.43 -0.17 -0.30 118.68 127.62 2wmj s LEU 956 Ca -0.04 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2wmj s LEU 956 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2wmj s LEU 956 CO 0.00 0.03 0.02 -0.13 0.23 0.00 0.00 176.35 176.51 2wmj s ARG 957 N 1.17 2.65 0.00 1.70 0.52 -0.26 -1.21 118.95 123.53 2wmj s ARG 957 Ca 0.03 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2wmj s ARG 957 Cb -0.14 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.73 2wmj s ARG 957 CO 0.01 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.29 2wmj n GLY 958 N 0.62 0.72 3.03 -3.53 0.00 -0.36 -2.07 105.19 103.59 2wmj n GLY 958 Ca -0.11 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.67 1.29 -0.13 -0.61 -1.09 -0.53 -4.81 121.20 112.65 2wmj s ILE 959 Ca 0.00 -0.54 0.18 0.00 -2.23 0.00 0.00 60.65 58.07 2wmj s ILE 959 Cb 0.00 -1.19 -0.24 0.00 -1.58 0.00 0.00 42.46 39.45 2wmj s ILE 959 CO 0.00 0.40 0.38 0.47 -1.23 0.00 0.00 174.94 174.96 2wmj n ASP 960 N 4.07 0.25 -4.17 3.58 8.00 -1.26 -3.77 116.55 123.24 2wmj n ASP 960 Ca -0.20 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 2wmj n ASP 960 Cb 0.51 1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.51 2wmj n ASP 960 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2wmj s LYS 961 N -2.85 0.97 -0.05 -1.24 0.00 -1.26 -5.03 119.74 110.28 2wmj s LYS 961 Ca -0.08 -1.47 -0.31 0.00 0.00 0.00 0.00 55.97 54.12 2wmj s LYS 961 Cb 0.09 0.15 -0.09 0.00 0.00 0.00 0.00 37.83 37.97 2wmj s LYS 961 CO 0.85 -0.24 1.99 -0.11 0.00 0.00 0.00 175.35 177.83 2wmj n LEU 962 N -0.13 3.75 -4.73 2.77 7.94 -1.26 -4.97 117.00 120.37 2wmj n LEU 962 Ca -0.05 0.81 -0.33 0.00 -1.11 0.00 0.00 56.01 55.32 2wmj n LEU 962 Cb 0.64 -1.47 0.09 0.00 0.53 0.00 0.00 43.42 43.20 2wmj n LEU 962 CO 0.31 -0.03 0.77 -2.84 -1.11 0.00 0.00 177.39 174.49 2wmj s PRO 963 N 4.69 2.18 0.12 1.96 0.02 -1.26 -4.94 135.00 137.76 2wmj s PRO 963 Ca 0.93 1.62 0.06 0.00 0.02 0.00 0.00 61.00 63.62 2wmj s PRO 963 Cb -0.52 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 2wmj s PRO 963 CO 0.44 -1.77 -0.02 0.95 -0.33 0.00 0.00 177.00 176.27 2wmj s THR 964 N -2.19 3.79 -0.16 0.99 -4.23 -0.71 -4.91 115.64 108.22 2wmj s THR 964 Ca 0.71 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2wmj s THR 964 Cb -0.26 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 2wmj s THR 964 CO 0.46 0.05 0.11 -0.63 -0.54 0.00 0.00 174.62 174.08 2wmj s ILE 965 N -1.41 5.25 0.06 2.99 1.01 -1.26 -0.75 121.20 127.09 2wmj s ILE 965 Ca 0.25 0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.04 2wmj s ILE 965 Cb -0.11 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2wmj s ILE 965 CO 0.17 0.52 -0.07 -1.00 0.00 0.00 0.00 174.94 174.56 2wmj s HIS 966 N -0.21 0.71 -1.40 3.97 3.76 0.11 -4.91 115.29 117.32 2wmj s HIS 966 Ca 0.10 -0.65 -0.07 0.00 -0.15 0.00 0.00 55.06 54.29 2wmj s HIS 966 Cb -0.12 -0.43 0.04 0.00 1.11 0.00 0.00 32.58 33.18 2wmj s HIS 966 CO 0.01 -0.12 0.88 0.43 -0.85 0.00 0.00 174.74 175.08 2wmj n SER 967 N 0.94 -3.20 -4.70 1.40 7.64 -1.26 -0.75 113.62 113.69 2wmj n SER 967 Ca -0.19 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.50 2wmj n SER 967 Cb 0.57 -4.14 -0.03 0.00 -1.01 0.00 0.00 64.21 59.60 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 -6.97 4.32 0.23 -3.43 2.96 -1.26 -4.14 118.68 110.39 2wmj s LEU 968 Ca 0.33 1.60 -0.17 0.00 -0.22 0.00 0.00 54.13 55.66 2wmj s LEU 968 Cb -0.16 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2wmj s LEU 968 CO 0.81 -0.34 0.57 -0.94 -1.32 0.00 0.00 176.35 175.13 2wmj s SER 969 N 1.04 -0.22 0.00 3.68 1.04 -0.76 -5.02 113.70 113.46 2wmj s SER 969 Ca 0.50 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2wmj s SER 969 Cb -0.20 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2wmj s SER 969 CO 0.24 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2wmj n GLY 970 N -0.39 -1.81 3.60 7.32 0.00 -1.26 -0.82 105.19 111.83 2wmj n GLY 970 Ca -0.06 -1.12 -0.54 0.00 0.00 0.00 0.00 46.02 44.29 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 0.34 0.04 -1.61 2.61 -1.04 -0.43 -4.82 114.28 109.37 2wmj n THR 971 Ca 0.00 -0.01 -0.50 0.00 -2.04 0.00 0.00 64.05 61.51 2wmj n THR 971 Cb 0.00 -0.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.73 2wmj n THR 971 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wmj n ASN 972 N 2.77 1.96 -2.01 8.00 3.02 -1.26 -2.44 115.26 125.30 2wmj n ASN 972 Ca 0.20 1.12 -0.21 0.00 -0.03 0.00 0.00 54.58 55.66 2wmj n ASN 972 Cb 0.16 -1.26 -0.04 0.00 -0.61 0.00 0.00 39.78 38.02 2wmj n ASN 972 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmj n ASN 973 N 2.56 -5.68 -0.35 6.41 5.03 -1.26 -4.89 115.26 117.07 2wmj n ASN 973 Ca 0.17 0.21 0.04 0.00 0.87 0.00 0.00 54.58 55.87 2wmj n ASN 973 Cb 0.23 -4.82 0.04 0.00 -1.02 0.00 0.00 39.78 34.21 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 -1.66 1.81 -3.73 6.41 3.41 -1.02 -5.02 113.62 113.81 2wmj n SER 974 Ca -0.23 -1.42 -0.13 0.00 -0.26 0.00 0.00 58.87 56.83 2wmj n SER 974 Cb 0.68 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.74 -0.37 0.61 7.33 -0.85 -1.26 -1.06 117.35 121.02 2wmj s TYR 975 Ca 0.11 0.82 -0.07 0.00 -0.52 0.00 0.00 57.07 57.41 2wmj s TYR 975 Cb 0.07 0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.57 2wmj s TYR 975 CO 0.11 -0.29 0.94 -0.51 -1.52 0.00 0.00 175.55 174.28 2wmj s ASP 976 N -0.34 5.51 0.14 -0.18 1.01 -0.92 -5.03 116.67 116.85 2wmj s ASP 976 Ca -0.05 0.75 -0.31 0.00 0.71 0.00 0.00 52.55 53.65 2wmj s ASP 976 Cb -0.03 -1.69 -0.10 0.00 1.01 0.00 0.00 42.92 42.10 2wmj s ASP 976 CO 0.02 -1.14 1.76 -1.58 0.21 0.00 0.00 175.17 174.44 2wmj s GLN 977 N -5.06 4.15 0.24 8.23 2.00 -1.26 -4.73 119.66 123.23 2wmj s GLN 977 Ca 0.55 2.55 -0.31 0.00 -2.00 0.00 0.00 55.36 56.14 2wmj s GLN 977 Cb -0.11 -3.45 -0.13 0.00 0.80 0.00 0.00 33.01 30.13 2wmj s GLN 977 CO 0.46 -0.79 1.45 -2.30 -0.50 0.00 0.00 175.29 173.61 2wmj n PRO 978 N 5.16 2.13 -3.35 1.67 -0.02 -1.26 -4.90 135.00 134.43 2wmj n PRO 978 Ca 0.17 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 62.02 2wmj n PRO 978 Cb 0.38 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 2wmj n PRO 978 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wmj s SER 979 N 0.39 6.97 -0.13 2.55 0.01 -0.28 -4.92 113.70 118.30 2wmj s SER 979 Ca 0.69 1.16 0.03 0.00 1.31 0.00 0.00 55.95 59.13 2wmj s SER 979 Cb -0.63 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.28 2wmj s SER 979 CO 0.48 0.28 -0.22 -0.76 0.41 0.00 0.00 173.24 173.43 2wmj s LEU 980 N -1.16 2.07 -0.45 2.44 1.02 -1.26 -1.32 118.68 120.03 2wmj s LEU 980 Ca 0.28 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.88 2wmj s LEU 980 Cb -0.18 -1.40 0.12 0.00 0.02 0.00 0.00 46.19 44.75 2wmj s LEU 980 CO 0.17 0.09 0.20 0.21 0.02 0.00 0.00 176.35 177.04 2wmj s ASN 981 N 0.71 4.24 -0.18 2.29 2.47 0.25 -4.96 114.94 119.76 2wmj s ASN 981 Ca -0.10 -2.63 -0.27 0.00 0.42 0.00 0.00 52.86 50.28 2wmj s ASN 981 Cb -0.16 -1.44 -0.01 0.00 -1.45 0.00 0.00 41.25 38.19 2wmj s ASN 981 CO 0.01 -0.29 0.92 0.12 -3.72 0.00 0.00 177.10 174.14 2wmj s PHE 982 N 0.27 3.41 -0.55 0.43 5.36 -1.26 -1.49 117.98 124.14 2wmj s PHE 982 Ca 0.15 1.37 -0.11 0.00 -0.96 0.00 0.00 56.93 57.38 2wmj s PHE 982 Cb -0.23 -3.12 0.14 0.00 -0.34 0.00 0.00 43.02 39.47 2wmj s PHE 982 CO -0.04 -0.31 0.46 0.34 -1.46 0.00 0.00 175.22 174.21 2wmj s ASP 983 N 1.18 5.95 0.14 6.13 -1.08 0.11 -4.99 116.67 124.11 2wmj s ASP 983 Ca 0.41 -2.06 -0.19 0.00 -0.52 0.00 0.00 52.55 50.19 2wmj s ASP 983 Cb -0.16 -2.08 0.01 0.00 -1.46 0.00 0.00 42.92 39.23 2wmj s ASP 983 CO 0.11 -0.70 1.69 -0.61 0.52 0.00 0.00 175.17 176.18 2wmj h GLN 984 N 8.37 -0.02 0.00 4.34 5.75 -1.95 -1.74 115.11 129.86 2wmj h GLN 984 Ca -0.18 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 2wmj h GLN 984 Cb 1.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 2wmj h GLN 984 CO 0.89 -0.01 -0.23 1.57 -2.65 0.00 0.00 178.83 178.39 2wmj h LYS 985 N -0.02 0.00 -0.60 1.69 2.10 -1.95 -2.16 116.57 115.63 2wmj h LYS 985 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2wmj h LYS 985 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2wmj h LYS 985 CO -0.28 0.23 0.00 0.09 -2.00 0.00 0.00 179.45 177.49 2wmj n ASN 986 N -4.08 3.67 -4.07 7.07 5.03 -1.07 -4.98 115.26 116.83 2wmj n ASN 986 Ca -0.02 -1.99 -0.40 0.00 0.87 0.00 0.00 54.58 53.04 2wmj n ASN 986 Cb 0.30 -0.40 -0.01 0.00 -1.02 0.00 0.00 39.78 38.66 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 1.41 -1.44 -3.74 3.10 8.25 -0.70 -4.68 115.22 117.42 2wmj n HIS 987 Ca 0.21 0.27 -0.14 0.00 -0.26 0.00 0.00 57.72 57.81 2wmj n HIS 987 Cb 0.58 -2.93 -0.08 0.00 1.12 0.00 0.00 29.99 28.67 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 -7.20 0.70 -0.02 -0.41 0.23 -0.95 -1.23 119.30 110.41 2wmj s MET 988 Ca 0.35 -0.14 0.04 0.00 -1.03 0.00 0.00 55.69 54.91 2wmj s MET 988 Cb -0.18 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.42 2wmj s MET 988 CO 0.96 -0.19 -0.14 0.54 -2.03 0.00 0.00 175.02 174.15 2wmj s VAL 989 N -1.29 1.15 -0.25 5.16 0.11 -0.35 0.09 120.40 125.01 2wmj s VAL 989 Ca -0.13 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 2wmj s VAL 989 Cb -0.05 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2wmj s VAL 989 CO 0.05 0.33 0.06 -0.89 -3.33 0.00 0.00 175.10 171.32 2wmj s THR 990 N -0.12 4.17 -0.19 5.04 2.01 -0.56 -1.00 115.64 124.99 2wmj s THR 990 Ca 0.01 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 2wmj s THR 990 Cb -0.08 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2wmj s THR 990 CO 0.00 0.31 0.02 -0.63 -0.69 0.00 0.00 174.62 173.63 2wmj s ILE 991 N 1.59 4.24 -0.16 1.82 1.01 0.78 -0.58 121.20 129.89 2wmj s ILE 991 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 2wmj s ILE 991 Cb -0.15 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 2wmj s ILE 991 CO 0.03 0.44 -0.14 -0.89 0.00 0.00 0.00 174.94 174.37 2wmj s THR 992 N 0.77 2.74 -0.11 2.92 2.01 -0.43 -1.07 115.64 122.46 2wmj s THR 992 Ca 0.01 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.28 2wmj s THR 992 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2wmj s THR 992 CO 0.02 0.51 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.70 2wmj s ILE 993 N 0.87 3.11 -0.26 1.82 1.01 0.38 -1.13 121.20 127.00 2wmj s ILE 993 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2wmj s ILE 993 Cb -0.15 -2.28 0.07 0.00 0.01 0.00 0.00 42.46 40.11 2wmj s ILE 993 CO -0.01 0.54 -0.03 0.21 0.00 0.00 0.00 174.94 175.65 2wmj s ASN 994 N -0.00 4.15 0.22 3.58 3.04 -1.26 -0.72 114.94 123.95 2wmj s ASN 994 Ca -0.03 -1.43 -0.21 0.00 0.04 0.00 0.00 52.86 51.22 2wmj s ASN 994 Cb -0.14 -1.31 0.04 0.00 -1.54 0.00 0.00 41.25 38.30 2wmj s ASN 994 CO 0.04 -0.27 0.64 -0.94 -3.04 0.00 0.00 177.10 173.54 2wmj s SER 995 N 1.27 -0.38 -0.34 -4.21 1.04 -0.71 -2.17 113.70 108.20 2wmj s SER 995 Ca -0.02 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.08 2wmj s SER 995 Cb -0.19 0.66 0.17 0.00 0.10 0.00 0.00 66.02 66.76 2wmj s SER 995 CO -0.08 -1.16 0.47 0.21 0.98 0.00 0.00 173.24 173.66 2wmj s ASN 996 N -2.85 -0.09 0.00 7.02 3.04 -0.22 -0.49 114.94 121.34 2wmj s ASN 996 Ca 0.07 -0.74 0.00 0.00 0.04 0.00 0.00 52.86 52.23 2wmj s ASN 996 Cb -0.03 1.27 0.00 0.00 -1.54 0.00 0.00 41.25 40.95 2wmj s ASN 996 CO -0.02 -0.28 0.00 0.61 -3.04 0.00 0.00 177.10 174.37 2wmj n GLY 997 N 4.84 -0.39 3.86 1.21 0.00 -1.26 -4.77 105.19 108.68 2wmj n GLY 997 Ca 0.06 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2wmj n GLY 997 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmj s ASN 998 N -4.00 6.69 -0.11 1.61 3.84 -1.26 -1.72 114.94 119.99 2wmj s ASN 998 Ca 0.00 0.98 -0.13 0.00 0.21 0.00 0.00 52.86 53.93 2wmj s ASN 998 Cb 0.00 -2.25 0.03 0.00 -0.55 0.00 0.00 41.25 38.48 2wmj s ASN 998 CO 0.00 -0.02 0.34 -0.22 -2.79 0.00 0.00 177.10 174.41 2wmj s LEU 999 N -2.56 0.71 0.01 3.21 2.96 0.81 -1.32 118.68 122.50 2wmj s LEU 999 Ca 0.45 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.87 2wmj s LEU 999 Cb -0.12 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.77 2wmj s LEU 999 CO 0.20 -0.18 0.16 -1.83 -1.32 0.00 0.00 176.35 173.39 2wmj s GLU 1000N -0.07 0.55 0.03 1.98 -1.05 -0.00 -0.76 118.70 119.37 2wmj s GLU 1000Ca -0.02 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.07 2wmj s GLU 1000Cb -0.03 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 33.99 2wmj s GLU 1000CO 0.01 -0.14 1.10 -0.59 0.95 0.00 0.00 175.26 176.59 2wmj s PHE 1001N -1.65 -0.12 -0.01 4.83 -0.12 -0.67 -1.83 117.98 118.41 2wmj s PHE 1001Ca -0.13 -0.06 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 2wmj s PHE 1001Cb -0.06 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 2wmj s PHE 1001CO 0.01 -0.52 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.27 2wmj s GLU 1002N -2.85 2.28 -0.19 1.99 2.02 0.07 -0.81 118.70 121.21 2wmj s GLU 1002Ca 0.12 -0.84 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 2wmj s GLU 1002Cb 0.01 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 2wmj s GLU 1002CO -0.02 0.58 0.10 -0.51 0.02 0.00 0.00 175.26 175.43 2wmj s LEU 1003N -1.02 4.03 -0.17 1.80 1.43 -0.07 -0.71 118.68 123.97 2wmj s LEU 1003Ca 0.13 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2wmj s LEU 1003Cb -0.10 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2wmj s LEU 1003CO 0.02 0.19 0.03 -1.00 0.23 0.00 0.00 176.35 175.83 2wmj s HIS 1004N 0.29 3.19 0.00 0.29 3.76 0.07 -1.13 115.29 121.77 2wmj s HIS 1004Ca 0.06 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2wmj s HIS 1004Cb -0.12 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.55 2wmj s HIS 1004CO -0.01 0.14 0.00 1.97 -0.85 0.00 0.00 174.74 175.99