#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwe s LEU 429 N 0.00 3.27 -0.88 2.41 1.43 -1.26 -4.95 118.68 118.70 2fwe s LEU 429 Ca 0.00 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 2fwe s LEU 429 Cb 0.00 -4.57 0.18 0.00 0.03 0.00 0.00 46.19 41.83 2fwe s LEU 429 CO 0.00 -2.07 0.95 0.20 0.23 0.00 0.00 176.35 175.66 2fwe s ASN 430 N -2.44 6.71 0.39 2.29 0.01 -1.26 -5.03 114.94 115.60 2fwe s ASN 430 Ca 0.69 -2.39 -0.13 0.00 -0.71 0.00 0.00 52.86 50.31 2fwe s ASN 430 Cb -0.24 -2.30 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 2fwe s ASN 430 CO 0.46 -0.81 0.79 -0.36 -1.51 0.00 0.00 177.10 175.67 2fwe s PHE 431 N 1.37 3.42 -0.24 2.20 0.08 -1.26 -4.66 117.98 118.89 2fwe s PHE 431 Ca 0.25 1.18 -0.08 0.00 0.12 0.00 0.00 56.93 58.41 2fwe s PHE 431 Cb -0.07 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2fwe s PHE 431 CO -0.09 -0.06 0.09 0.99 -0.10 0.00 0.00 175.22 176.05 2fwe s THR 432 N -2.24 4.60 0.24 0.64 2.01 0.82 -4.92 115.64 116.80 2fwe s THR 432 Ca 0.54 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2fwe s THR 432 Cb -0.10 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2fwe s THR 432 CO 0.25 0.35 1.04 -1.10 -0.69 0.00 0.00 174.62 174.47 2fwe s GLN 433 N 1.37 4.70 0.08 4.92 -1.52 -1.26 -1.35 119.66 126.60 2fwe s GLN 433 Ca 0.06 1.68 0.07 0.00 -1.95 0.00 0.00 55.36 55.21 2fwe s GLN 433 Cb -0.15 -3.24 -0.03 0.00 -0.22 0.00 0.00 33.01 29.37 2fwe s GLN 433 CO 0.04 0.29 -0.19 0.96 -0.25 0.00 0.00 175.29 176.15 2fwe s ILE 434 N -0.97 1.51 -0.12 1.08 -5.25 -0.03 -4.88 121.20 112.54 2fwe s ILE 434 Ca 0.44 -1.35 0.00 0.00 -0.99 0.00 0.00 60.65 58.75 2fwe s ILE 434 Cb -0.29 -1.37 -0.08 0.00 2.95 0.00 0.00 42.46 43.67 2fwe s ILE 434 CO 0.37 -0.03 -0.11 1.17 -1.79 0.00 0.00 174.94 174.55 2fwe n LYS 435 N 1.39 0.30 -4.62 0.37 3.00 -1.26 -4.28 118.16 113.06 2fwe n LYS 435 Ca -0.19 0.08 -0.28 0.00 -0.00 0.00 0.00 58.31 57.91 2fwe n LYS 435 Cb 0.54 -1.21 -0.11 0.00 0.00 0.00 0.00 35.03 34.25 2fwe n LYS 435 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2fwe s THR 436 N -2.24 1.97 0.20 3.15 -4.23 -1.26 -4.48 115.64 108.74 2fwe s THR 436 Ca -0.17 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.24 2fwe s THR 436 Cb 0.05 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.04 2fwe s THR 436 CO 0.27 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.66 2fwe h VAL 437 N 1.76 0.72 -0.46 2.29 2.07 -1.93 0.18 116.25 120.88 2fwe h VAL 437 Ca -0.44 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2fwe h VAL 437 Cb 1.24 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2fwe h VAL 437 CO 0.81 0.06 0.26 0.44 0.02 0.00 0.00 177.57 179.16 2fwe h ASP 438 N 0.30 0.41 -0.71 0.57 3.32 -1.99 -0.69 116.42 117.63 2fwe h ASP 438 Ca 0.29 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2fwe h ASP 438 Cb 0.38 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2fwe h ASP 438 CO -0.34 0.29 0.38 -0.33 -1.72 0.00 0.00 179.24 177.53 2fwe h GLU 439 N 0.52 1.00 -0.29 3.56 5.08 -1.78 -0.11 114.58 122.56 2fwe h GLU 439 Ca 0.19 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2fwe h GLU 439 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2fwe h GLU 439 CO -0.10 0.75 0.19 1.25 -1.00 0.00 0.00 179.01 180.10 2fwe h LEU 440 N 0.98 0.34 -0.85 1.33 5.85 -0.49 -1.54 115.31 120.93 2fwe h LEU 440 Ca 0.25 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2fwe h LEU 440 Cb 0.05 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2fwe h LEU 440 CO -0.04 0.25 0.53 0.78 -0.34 0.00 0.00 178.44 179.62 2fwe h ASN 441 N 0.39 1.00 -0.02 1.25 -0.26 -0.68 -0.08 115.58 117.18 2fwe h ASN 441 Ca 0.11 -0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 2fwe h ASN 441 Cb -0.04 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 2fwe h ASN 441 CO -0.02 0.75 -0.25 -0.61 -1.06 0.00 0.00 177.43 176.24 2fwe h GLN 442 N 1.16 0.43 -0.55 0.81 5.75 -0.89 -1.22 115.11 120.59 2fwe h GLN 442 Ca 0.31 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2fwe h GLN 442 Cb -0.08 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 2fwe h GLN 442 CO -0.06 0.65 -0.02 0.00 -2.65 0.00 0.00 178.83 176.74 2fwe h ALA 443 N 1.36 0.91 -0.49 3.38 0.00 -0.32 -1.81 119.26 122.29 2fwe h ALA 443 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2fwe h ALA 443 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2fwe h ALA 443 CO 0.05 0.64 0.22 -0.07 0.00 0.00 0.00 179.25 180.09 2fwe h LEU 444 N 0.89 0.66 -0.45 0.00 3.38 -0.72 0.25 115.31 119.32 2fwe h LEU 444 Ca 0.16 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2fwe h LEU 444 Cb 0.55 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2fwe h LEU 444 CO 0.03 0.62 0.10 0.58 0.09 0.00 0.00 178.44 179.87 2fwe h VAL 445 N 0.65 0.77 0.00 1.22 2.07 -0.92 -1.44 116.25 118.61 2fwe h VAL 445 Ca 0.17 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2fwe h VAL 445 Cb 0.15 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2fwe h VAL 445 CO -0.02 0.04 -0.17 -0.33 0.02 0.00 0.00 177.57 177.11 2fwe h GLU 446 N 0.24 0.00 -0.00 1.57 5.08 -1.04 -2.78 114.58 117.64 2fwe h GLU 446 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2fwe h GLU 446 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2fwe h GLU 446 CO -0.28 0.17 -0.29 0.00 -1.00 0.00 0.00 179.01 177.61 2fwe n ALA 447 N -2.21 3.07 -1.71 3.43 0.00 0.05 -4.92 120.51 118.22 2fwe n ALA 447 Ca -0.00 -0.27 -0.61 0.00 0.00 0.00 0.00 53.44 52.56 2fwe n ALA 447 Cb 0.38 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 2fwe n ALA 447 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2fwe n LYS 448 N -1.40 0.71 0.00 0.00 3.00 -0.66 -0.71 118.16 119.10 2fwe n LYS 448 Ca 0.07 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 2fwe n LYS 448 Cb 0.33 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.49 2fwe n LYS 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fwe n GLY 449 N 3.96 2.40 3.28 3.14 0.00 -0.02 -5.06 105.19 112.89 2fwe n GLY 449 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2fwe n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fwe s LYS 450 N -0.48 1.12 0.70 1.61 1.02 0.11 -4.87 119.74 118.96 2fwe s LYS 450 Ca 0.00 -1.22 -0.13 0.00 0.02 0.00 0.00 55.97 54.65 2fwe s LYS 450 Cb 0.00 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 2fwe s LYS 450 CO 0.00 0.28 1.09 -1.25 -0.92 0.00 0.00 175.35 174.55 2fwe s PRO 451 N -2.21 2.63 0.05 -1.68 0.04 -1.26 -4.00 135.00 128.57 2fwe s PRO 451 Ca 0.08 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.42 2fwe s PRO 451 Cb -0.08 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2fwe s PRO 451 CO 0.05 -1.36 -0.17 0.08 0.04 0.00 0.00 177.00 175.64 2fwe s VAL 452 N -2.66 1.32 -0.12 -0.36 1.01 -0.22 -1.22 120.40 118.15 2fwe s VAL 452 Ca 0.63 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2fwe s VAL 452 Cb -0.18 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2fwe s VAL 452 CO 0.49 0.05 -0.18 -0.32 0.00 0.00 0.00 175.10 175.14 2fwe s MET 453 N -1.23 2.50 -0.28 2.72 1.75 -0.57 -0.98 119.30 123.22 2fwe s MET 453 Ca 0.04 -0.67 -0.04 0.00 -1.25 0.00 0.00 55.69 53.77 2fwe s MET 453 Cb -0.08 -2.08 0.02 0.00 2.84 0.00 0.00 34.83 35.53 2fwe s MET 453 CO 0.02 -0.05 0.01 -1.17 -0.65 0.00 0.00 175.02 173.18 2fwe s LEU 454 N 0.93 3.58 -0.15 4.11 2.96 -0.04 -0.78 118.68 129.29 2fwe s LEU 454 Ca -0.07 -0.89 -0.15 0.00 -0.22 0.00 0.00 54.13 52.80 2fwe s LEU 454 Cb -0.15 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2fwe s LEU 454 CO -0.02 -0.18 0.34 -0.62 -1.32 0.00 0.00 176.35 174.55 2fwe s ASP 455 N 1.38 6.50 -0.22 3.68 2.15 0.46 -0.89 116.67 129.73 2fwe s ASP 455 Ca 0.00 0.59 -0.09 0.00 0.43 0.00 0.00 52.55 53.48 2fwe s ASP 455 Cb -0.17 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2fwe s ASP 455 CO -0.01 0.07 0.11 -0.76 -0.17 0.00 0.00 175.17 174.41 2fwe s LEU 456 N 0.52 3.86 0.07 -1.34 1.43 -0.49 -1.00 118.68 121.73 2fwe s LEU 456 Ca 0.19 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2fwe s LEU 456 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2fwe s LEU 456 CO 0.05 0.08 -0.14 -0.47 0.23 0.00 0.00 176.35 176.10 2fwe s TYR 457 N 0.98 1.17 -0.03 0.29 5.04 -0.20 -3.99 117.35 120.61 2fwe s TYR 457 Ca 0.06 -0.46 -0.12 0.00 -2.44 0.00 0.00 57.07 54.11 2fwe s TYR 457 Cb -0.14 -0.66 0.02 0.00 0.35 0.00 0.00 41.96 41.53 2fwe s TYR 457 CO 0.03 0.04 0.26 0.00 -1.34 0.00 0.00 175.55 174.54 2fwe s ALA 458 N -1.26 -0.64 0.51 3.97 0.00 -1.26 -0.30 121.76 122.78 2fwe s ALA 458 Ca -0.03 0.30 0.19 0.00 0.00 0.00 0.00 51.96 52.42 2fwe s ALA 458 Cb -0.10 -0.03 1.32 0.00 0.00 0.00 0.00 23.12 24.31 2fwe s ALA 458 CO 0.02 -0.22 2.13 -0.44 0.00 0.00 0.00 175.76 177.25 2fwe h ASP 459 N 4.38 0.00 0.02 0.00 3.32 -1.94 -1.93 116.42 120.27 2fwe h ASP 459 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fwe h ASP 459 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2fwe h ASP 459 CO 0.39 0.04 -0.06 -2.67 -1.72 0.00 0.00 179.24 175.22 2fwe n TRP 460 N -4.34 0.00 -2.69 4.55 4.27 -1.26 -4.82 117.44 113.16 2fwe n TRP 460 Ca -0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.16 2fwe n TRP 460 Cb 0.13 -0.02 -0.03 0.00 -1.36 0.00 0.00 31.31 30.03 2fwe n TRP 460 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2fwe h VAL 462 N 6.09 1.01 0.00 0.00 2.07 -1.87 -1.68 116.25 121.87 2fwe h VAL 462 Ca -0.26 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2fwe h VAL 462 Cb 1.06 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2fwe h VAL 462 CO 1.16 0.03 -0.12 0.00 0.02 0.00 0.00 177.57 178.66 2fwe h ALA 463 N 1.06 1.25 -0.22 1.67 0.00 -1.92 0.86 119.26 121.96 2fwe h ALA 463 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2fwe h ALA 463 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2fwe h ALA 463 CO -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 2fwe h LYS 465 N 0.15 0.82 -0.62 0.00 1.79 -0.70 -2.49 116.57 115.51 2fwe h LYS 465 Ca 0.06 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 2fwe h LYS 465 Cb 0.50 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2fwe h LYS 465 CO 0.02 0.70 0.17 0.93 -1.08 0.00 0.00 179.45 180.20 2fwe h GLU 466 N 0.81 0.96 -0.56 3.15 5.08 -0.52 -1.50 114.58 121.99 2fwe h GLU 466 Ca 0.19 -0.20 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2fwe h GLU 466 Cb 0.22 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2fwe h GLU 466 CO -0.01 0.84 0.15 0.74 -1.00 0.00 0.00 179.01 179.73 2fwe h PHE 467 N 0.92 0.25 -0.63 4.33 0.04 -0.79 -1.06 116.94 120.00 2fwe h PHE 467 Ca 0.20 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 2fwe h PHE 467 Cb 0.30 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2fwe h PHE 467 CO 0.02 0.02 0.13 0.93 -0.60 0.00 0.00 178.31 178.82 2fwe h GLU 468 N 0.30 1.03 -0.09 1.51 5.08 -0.98 0.77 114.58 122.19 2fwe h GLU 468 Ca 0.28 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2fwe h GLU 468 Cb 0.38 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fwe h GLU 468 CO -0.34 0.94 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.33 2fwe h LYS 469 N 0.95 0.21 0.00 2.33 3.64 -1.03 -3.24 116.57 119.43 2fwe h LYS 469 Ca 0.20 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2fwe h LYS 469 Cb 0.39 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2fwe h LYS 469 CO 0.01 0.60 -1.80 0.66 -2.27 0.00 0.00 179.45 176.64 2fwe n TYR 470 N -4.71 0.00 0.03 1.91 4.01 -0.43 -4.66 117.16 113.32 2fwe n TYR 470 Ca -0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2fwe n TYR 470 Cb 0.29 -0.43 -0.00 0.00 -0.31 0.00 0.00 39.34 38.89 2fwe n TYR 470 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2fwe n THR 471 N -2.15 0.90 0.29 -0.72 -1.04 -0.35 -4.28 114.28 106.94 2fwe n THR 471 Ca -0.06 0.28 0.17 0.00 -2.04 0.00 0.00 64.05 62.40 2fwe n THR 471 Cb 0.51 -1.58 0.80 0.00 -1.82 0.00 0.00 70.33 68.24 2fwe n THR 471 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2fwe h PHE 472 N -0.03 0.00 -0.01 -1.42 0.04 -1.10 -1.67 116.94 112.74 2fwe h PHE 472 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2fwe h PHE 472 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2fwe h PHE 472 CO -0.01 0.00 -0.15 -1.13 -0.60 0.00 0.00 178.31 176.42 2fwe n SER 473 N -2.73 1.47 -4.68 2.17 3.41 -1.22 -4.45 113.62 107.57 2fwe n SER 473 Ca -0.01 -1.29 -0.39 0.00 -0.26 0.00 0.00 58.87 56.93 2fwe n SER 473 Cb 0.15 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2fwe n SER 473 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fwe s ASP 474 N -2.25 6.63 0.40 4.04 -1.08 -0.63 -4.94 116.67 118.85 2fwe s ASP 474 Ca 0.30 0.76 0.20 0.00 -0.52 0.00 0.00 52.55 53.29 2fwe s ASP 474 Cb 0.20 -2.30 1.16 0.00 -1.46 0.00 0.00 42.92 40.52 2fwe s ASP 474 CO 0.43 -0.13 1.74 -0.65 0.52 0.00 0.00 175.17 177.08 2fwe h PRO 475 N 7.19 0.33 -0.44 4.34 0.11 -1.88 -0.82 132.00 140.82 2fwe h PRO 475 Ca -0.36 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.76 2fwe h PRO 475 Cb 1.16 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2fwe h PRO 475 CO 0.75 0.22 0.23 0.37 -0.21 0.00 0.00 178.00 179.36 2fwe h GLN 476 N 0.33 0.45 -0.26 1.05 4.15 -1.92 0.15 115.11 119.07 2fwe h GLN 476 Ca 0.64 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.96 2fwe h GLN 476 Cb 1.70 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.29 2fwe h GLN 476 CO -0.33 0.30 -0.13 0.28 -1.93 0.00 0.00 178.83 177.02 2fwe h VAL 477 N 0.47 1.30 -0.32 2.39 2.07 -1.45 -1.61 116.25 119.10 2fwe h VAL 477 Ca 0.19 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.50 2fwe h VAL 477 Cb 0.07 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2fwe h VAL 477 CO -0.12 0.38 0.19 1.56 0.02 0.00 0.00 177.57 179.60 2fwe h GLN 478 N 0.28 0.38 -0.25 1.57 4.20 -0.89 -1.08 115.11 119.32 2fwe h GLN 478 Ca 0.06 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2fwe h GLN 478 Cb 0.64 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2fwe h GLN 478 CO 0.04 0.25 -0.31 0.87 -0.67 0.00 0.00 178.83 179.00 2fwe h LYS 479 N 0.39 0.53 -0.10 1.46 1.57 -0.71 -2.78 116.57 116.93 2fwe h LYS 479 Ca 0.12 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2fwe h LYS 479 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2fwe h LYS 479 CO -0.05 0.78 -0.15 0.00 -0.57 0.00 0.00 179.45 179.46 2fwe h ALA 480 N 1.21 1.58 -0.07 3.86 0.00 -0.80 -2.05 119.26 122.98 2fwe h ALA 480 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fwe h ALA 480 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2fwe h ALA 480 CO 0.06 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.90 2fwe n LEU 481 N -4.29 1.40 0.27 0.00 4.77 -0.45 -4.45 117.00 114.24 2fwe n LEU 481 Ca -0.01 -0.52 0.12 0.00 -0.03 0.00 0.00 56.01 55.56 2fwe n LEU 481 Cb 0.26 -0.04 0.74 0.00 -2.33 0.00 0.00 43.42 42.04 2fwe n LEU 481 CO 0.37 0.26 1.01 0.00 -1.33 0.00 0.00 177.39 177.71 2fwe h ALA 482 N 4.18 1.47 -0.38 -1.18 0.00 -1.12 -1.61 119.26 120.63 2fwe h ALA 482 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2fwe h ALA 482 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2fwe h ALA 482 CO 0.00 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 2fwe n ASP 483 N -3.88 4.57 -4.67 0.00 5.75 -1.26 -4.91 116.55 112.15 2fwe n ASP 483 Ca -0.02 -2.97 -0.35 0.00 -0.01 0.00 0.00 54.79 51.43 2fwe n ASP 483 Cb 0.18 -0.59 -0.09 0.00 -1.03 0.00 0.00 41.12 39.58 2fwe n ASP 483 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2fwe s THR 484 N -2.78 4.54 -0.05 2.12 2.01 -0.61 -4.47 115.64 116.41 2fwe s THR 484 Ca 0.47 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2fwe s THR 484 Cb 0.37 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2fwe s THR 484 CO 0.12 0.55 1.23 -0.69 -0.69 0.00 0.00 174.62 175.13 2fwe s VAL 485 N -0.36 4.19 -0.22 3.82 1.01 -0.36 -4.90 120.40 123.58 2fwe s VAL 485 Ca 0.08 1.52 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 2fwe s VAL 485 Cb -0.12 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2fwe s VAL 485 CO 0.02 -0.00 0.03 -0.76 0.00 0.00 0.00 175.10 174.38 2fwe s LEU 486 N 2.26 3.33 0.12 3.92 1.43 -1.26 -1.51 118.68 126.98 2fwe s LEU 486 Ca 0.57 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.55 2fwe s LEU 486 Cb -0.25 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2fwe s LEU 486 CO 0.22 0.02 -0.15 -0.76 0.23 0.00 0.00 176.35 175.92 2fwe s LEU 487 N 1.25 2.82 -0.02 1.79 1.43 0.04 -0.13 118.68 125.87 2fwe s LEU 487 Ca 0.04 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2fwe s LEU 487 Cb -0.15 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2fwe s LEU 487 CO 0.02 0.17 0.04 -1.58 0.23 0.00 0.00 176.35 175.23 2fwe s GLN 488 N -2.26 0.04 -0.17 1.70 0.74 -0.45 -0.40 119.66 118.85 2fwe s GLN 488 Ca 0.20 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.67 2fwe s GLN 488 Cb -0.10 -0.02 -0.02 0.00 1.10 0.00 0.00 33.01 33.98 2fwe s GLN 488 CO 0.12 -0.03 -0.07 0.00 -0.55 0.00 0.00 175.29 174.76 2fwe s ALA 489 N 0.19 2.80 -0.52 1.58 0.00 -0.17 -0.85 121.76 124.79 2fwe s ALA 489 Ca -0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2fwe s ALA 489 Cb -0.02 -1.49 0.12 0.00 0.00 0.00 0.00 23.12 21.73 2fwe s ALA 489 CO -0.01 -0.02 0.45 1.21 0.00 0.00 0.00 175.76 177.39 2fwe s ASN 490 N 0.79 6.05 -0.37 0.00 2.47 -1.26 -1.03 114.94 121.59 2fwe s ASN 490 Ca -0.03 -1.81 0.08 0.00 0.42 0.00 0.00 52.86 51.52 2fwe s ASN 490 Cb -0.15 -2.15 0.72 0.00 -1.45 0.00 0.00 41.25 38.22 2fwe s ASN 490 CO 0.01 -0.80 1.84 1.33 -3.72 0.00 0.00 177.10 175.76 2fwe n VAL 491 N 5.15 3.03 -0.30 -5.21 0.24 0.59 -4.60 118.33 117.23 2fwe n VAL 491 Ca -0.12 -1.77 0.12 0.00 -2.04 0.00 0.00 64.34 60.53 2fwe n VAL 491 Cb 0.40 -0.40 0.29 0.00 -1.47 0.00 0.00 33.84 32.66 2fwe n VAL 491 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2fwe h THR 492 N 2.07 0.55 0.00 3.34 2.02 -1.93 -2.12 112.91 116.85 2fwe h THR 492 Ca 0.39 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 2fwe h THR 492 Cb 2.51 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2fwe h THR 492 CO 0.86 0.09 -0.51 0.00 0.37 0.00 0.00 175.52 176.33 2fwe h ALA 493 N 1.67 0.77 -5.69 6.16 0.00 -1.95 -3.47 119.26 116.74 2fwe h ALA 493 Ca 0.53 -0.46 -0.41 0.00 0.00 0.00 0.00 54.91 54.57 2fwe h ALA 493 Cb 0.95 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.75 2fwe h ALA 493 CO -0.48 0.63 -0.68 -1.71 0.00 0.00 0.00 179.25 177.02 2fwe n ASN 494 N -3.37 -6.05 -4.21 0.00 5.15 -0.80 -5.00 115.26 100.99 2fwe n ASN 494 Ca 0.01 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.16 2fwe n ASN 494 Cb 0.66 -4.79 0.18 0.00 -0.53 0.00 0.00 39.78 35.30 2fwe n ASN 494 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2fwe s ASP 495 N -3.20 2.86 0.32 1.20 1.47 -1.26 -4.66 116.67 113.40 2fwe s ASP 495 Ca 0.55 0.45 0.03 0.00 1.18 0.00 0.00 52.55 54.77 2fwe s ASP 495 Cb -0.25 -0.63 0.63 0.00 -0.34 0.00 0.00 42.92 42.33 2fwe s ASP 495 CO 0.68 -2.91 1.89 0.00 0.68 0.00 0.00 175.17 175.51 2fwe h ALA 496 N -1.75 1.62 -0.22 2.11 0.00 -1.99 -0.93 119.26 118.09 2fwe h ALA 496 Ca -0.45 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2fwe h ALA 496 Cb 1.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2fwe h ALA 496 CO 0.42 0.20 -0.52 1.96 0.00 0.00 0.00 179.25 181.31 2fwe h GLN 497 N 0.91 0.74 -0.32 0.00 4.20 -1.92 -1.24 115.11 117.48 2fwe h GLN 497 Ca 0.42 -0.50 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2fwe h GLN 497 Cb 0.41 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2fwe h GLN 497 CO -0.18 1.12 -0.05 -0.44 -0.67 0.00 0.00 178.83 178.61 2fwe h ASP 498 N 0.46 -0.23 -0.69 1.46 3.32 -1.64 -0.75 116.42 118.35 2fwe h ASP 498 Ca -0.00 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2fwe h ASP 498 Cb 1.13 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 2fwe h ASP 498 CO 0.11 -0.08 0.27 0.58 -1.72 0.00 0.00 179.24 178.40 2fwe h VAL 499 N 0.04 1.25 -0.56 -1.35 2.07 -1.10 -0.78 116.25 115.81 2fwe h VAL 499 Ca 0.16 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 2fwe h VAL 499 Cb 0.23 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2fwe h VAL 499 CO -0.30 0.32 0.10 0.00 0.02 0.00 0.00 177.57 177.71 2fwe h ALA 500 N 1.25 0.74 0.23 1.67 0.00 -0.92 -0.93 119.26 121.31 2fwe h ALA 500 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2fwe h ALA 500 Cb 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fwe h ALA 500 CO -0.02 0.48 -0.11 1.25 0.00 0.00 0.00 179.25 180.85 2fwe h LEU 501 N 0.82 -0.26 -0.73 0.00 5.85 -0.57 0.30 115.31 120.71 2fwe h LEU 501 Ca 0.17 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.94 2fwe h LEU 501 Cb 0.39 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 2fwe h LEU 501 CO 0.01 -0.07 0.26 -0.07 -0.34 0.00 0.00 178.44 178.23 2fwe h LEU 502 N -0.45 0.20 -0.39 2.25 3.38 -1.07 -1.17 115.31 118.07 2fwe h LEU 502 Ca -0.03 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2fwe h LEU 502 Cb 0.34 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2fwe h LEU 502 CO 0.05 0.07 0.12 0.11 0.09 0.00 0.00 178.44 178.88 2fwe h LYS 503 N 0.39 0.60 -0.79 1.13 1.57 -0.90 0.16 116.57 118.74 2fwe h LYS 503 Ca 0.40 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2fwe h LYS 503 Cb 0.63 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2fwe h LYS 503 CO -0.42 0.61 0.45 1.25 -0.57 0.00 0.00 179.45 180.77 2fwe h HIS 504 N 0.48 1.05 -0.02 -1.35 2.76 -0.46 -1.84 115.15 115.77 2fwe h HIS 504 Ca 0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2fwe h HIS 504 Cb 0.25 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2fwe h HIS 504 CO 0.01 0.71 0.00 1.28 -1.30 0.00 0.00 177.93 178.63 2fwe n LEU 505 N -4.37 1.25 -3.73 0.26 4.77 -0.49 -4.94 117.00 109.75 2fwe n LEU 505 Ca 0.08 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 2fwe n LEU 505 Cb 0.08 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2fwe n LEU 505 CO 0.38 0.21 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.38 2fwe n ASN 506 N -0.02 -1.33 -4.78 -1.43 5.15 -0.26 -4.96 115.26 107.62 2fwe n ASN 506 Ca 0.20 -0.83 -0.39 0.00 -0.60 0.00 0.00 54.58 52.96 2fwe n ASN 506 Cb 0.31 -3.98 -0.06 0.00 -0.53 0.00 0.00 39.78 35.52 2fwe n ASN 506 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fwe s VAL 507 N -3.67 4.86 -0.47 3.44 1.01 0.42 -4.96 120.40 121.03 2fwe s VAL 507 Ca 0.04 1.21 0.11 0.00 0.00 0.00 0.00 61.98 63.34 2fwe s VAL 507 Cb -0.02 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 2fwe s VAL 507 CO 0.82 0.47 0.44 0.18 0.00 0.00 0.00 175.10 177.01 2fwe n LEU 508 N 2.34 0.46 0.00 3.92 4.77 -1.26 -4.75 117.00 122.49 2fwe n LEU 508 Ca -0.08 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2fwe n LEU 508 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2fwe n LEU 508 CO 0.42 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2fwe n GLY 509 N 1.31 -0.31 3.55 -0.72 0.00 -1.26 -5.16 105.19 102.60 2fwe n GLY 509 Ca 0.02 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2fwe n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fwe s LEU 510 N 0.00 2.95 0.57 0.99 1.43 -1.26 -3.89 118.68 119.47 2fwe s LEU 510 Ca 0.00 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2fwe s LEU 510 Cb 0.00 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2fwe s LEU 510 CO 0.00 0.18 1.03 -2.16 0.23 0.00 0.00 176.35 175.62 2fwe s PRO 511 N -2.20 3.57 -0.02 1.29 0.04 -1.26 -4.94 135.00 131.49 2fwe s PRO 511 Ca 0.20 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2fwe s PRO 511 Cb -0.11 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2fwe s PRO 511 CO 0.13 -0.59 -0.01 0.99 0.04 0.00 0.00 177.00 177.56 2fwe s THR 512 N -2.58 0.17 -0.12 1.26 2.01 -1.25 -4.13 115.64 111.00 2fwe s THR 512 Ca 0.61 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2fwe s THR 512 Cb -0.13 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.18 2fwe s THR 512 CO 0.36 0.10 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 2fwe s ILE 513 N 0.55 1.55 0.13 1.82 1.01 -0.15 -1.39 121.20 124.72 2fwe s ILE 513 Ca -0.05 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2fwe s ILE 513 Cb -0.08 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2fwe s ILE 513 CO -0.01 0.45 0.09 -0.76 0.00 0.00 0.00 174.94 174.71 2fwe s LEU 514 N 1.13 3.73 -0.06 2.97 1.02 -0.07 -1.67 118.68 125.74 2fwe s LEU 514 Ca -0.03 -0.11 0.04 0.00 0.02 0.00 0.00 54.13 54.05 2fwe s LEU 514 Cb -0.14 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.69 2fwe s LEU 514 CO -0.04 0.12 -0.17 -0.36 0.02 0.00 0.00 176.35 175.91 2fwe s PHE 515 N -1.57 1.80 -0.02 0.29 0.08 -1.26 -0.86 117.98 116.43 2fwe s PHE 515 Ca 0.29 -0.59 0.07 0.00 0.12 0.00 0.00 56.93 56.82 2fwe s PHE 515 Cb -0.11 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 2fwe s PHE 515 CO 0.22 -0.23 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.82 2fwe s PHE 516 N 0.22 2.11 0.52 0.36 0.40 -0.15 -2.06 117.98 119.37 2fwe s PHE 516 Ca -0.09 -0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 55.74 2fwe s PHE 516 Cb -0.14 -1.36 0.12 0.00 0.51 0.00 0.00 43.02 42.15 2fwe s PHE 516 CO 0.04 -0.06 0.70 -0.40 0.70 0.00 0.00 175.22 176.20 2fwe n ASP 517 N 2.57 0.17 0.00 1.36 5.68 0.24 -1.06 116.55 125.52 2fwe n ASP 517 Ca -0.16 -1.32 0.09 0.00 -0.50 0.00 0.00 54.79 52.90 2fwe n ASP 517 Cb 0.52 -0.53 0.53 0.00 -1.14 0.00 0.00 41.12 40.50 2fwe n ASP 517 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fwe n GLY 518 N 0.31 -0.66 1.01 6.12 0.00 -1.26 -1.11 105.19 109.61 2fwe n GLY 518 Ca 0.09 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2fwe n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fwe n GLN 519 N -1.07 2.34 -0.57 1.61 1.13 -1.26 -0.84 117.38 118.72 2fwe n GLN 519 Ca 0.13 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.19 2fwe n GLN 519 Cb 0.08 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.95 2fwe n GLN 519 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fwe n GLY 520 N 1.41 0.76 3.72 1.08 0.00 -0.27 -5.01 105.19 106.89 2fwe n GLY 520 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2fwe n GLY 520 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fwe s GLN 521 N -0.43 4.40 0.34 1.61 2.00 -1.26 -4.73 119.66 121.59 2fwe s GLN 521 Ca 0.00 0.71 -0.26 0.00 -2.00 0.00 0.00 55.36 53.82 2fwe s GLN 521 Cb 0.00 -3.44 -0.10 0.00 0.80 0.00 0.00 33.01 30.27 2fwe s GLN 521 CO 0.00 0.10 0.99 -2.00 -0.50 0.00 0.00 175.29 173.87 2fwe s GLU 522 N 0.74 4.47 -0.39 1.67 2.12 -1.26 -0.59 118.70 125.46 2fwe s GLU 522 Ca 0.33 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.08 2fwe s GLU 522 Cb -0.17 -2.76 0.11 0.00 0.26 0.00 0.00 34.13 31.57 2fwe s GLU 522 CO 0.15 0.16 0.14 -1.01 -0.54 0.00 0.00 175.26 174.17 2fwe s HIS 523 N -1.59 3.64 0.40 5.30 3.76 -0.88 -4.95 115.29 120.97 2fwe s HIS 523 Ca 0.52 -2.76 0.11 0.00 -0.15 0.00 0.00 55.06 52.78 2fwe s HIS 523 Cb -0.21 -3.06 0.92 0.00 1.11 0.00 0.00 32.58 31.34 2fwe s HIS 523 CO 0.26 -0.94 1.93 -1.35 -0.85 0.00 0.00 174.74 173.79 2fwe h PRO 524 N 7.70 0.54 0.00 8.40 0.11 -1.96 0.15 132.00 146.94 2fwe h PRO 524 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2fwe h PRO 524 Cb 1.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2fwe h PRO 524 CO 0.61 0.36 0.00 -0.56 -0.21 0.00 0.00 178.00 178.20 2fwe h GLN 525 N 0.56 0.00 -0.00 1.05 -0.00 -1.98 -0.87 115.11 113.87 2fwe h GLN 525 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 2fwe h GLN 525 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.08 2fwe h GLN 525 CO -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 178.83 178.61 2fwe n ALA 526 N -2.06 2.64 -1.73 0.06 0.00 0.51 -4.90 120.51 115.03 2fwe n ALA 526 Ca -0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2fwe n ALA 526 Cb 0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 2fwe n ALA 526 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fwe n ARG 527 N -1.30 2.55 -4.10 0.00 1.74 -0.33 -4.76 116.66 110.45 2fwe n ARG 527 Ca 0.11 0.90 -0.35 0.00 -0.77 0.00 0.00 57.85 57.74 2fwe n ARG 527 Cb 0.30 -2.64 -0.11 0.00 -1.02 0.00 0.00 32.46 28.99 2fwe n ARG 527 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2fwe s VAL 528 N -0.29 4.40 -0.06 1.55 1.01 -0.67 -4.95 120.40 121.38 2fwe s VAL 528 Ca 0.62 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.52 2fwe s VAL 528 Cb -0.52 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 33.02 2fwe s VAL 528 CO 0.52 0.45 1.06 0.35 0.00 0.00 0.00 175.10 177.49 2fwe n THR 529 N 3.77 0.93 -3.98 3.92 -2.24 -1.26 -0.98 114.28 114.45 2fwe n THR 529 Ca -0.17 -1.11 -0.10 0.00 -2.27 0.00 0.00 64.05 60.40 2fwe n THR 529 Cb 0.52 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 2fwe n THR 529 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2fwe s GLY 530 N -1.88 0.58 0.44 3.38 0.00 -1.26 -4.59 107.32 104.00 2fwe s GLY 530 Ca 0.15 -0.89 -0.26 0.00 0.00 0.00 0.00 44.72 43.73 2fwe s GLY 530 CO 0.01 -0.59 1.45 -0.12 0.00 0.00 0.00 173.10 173.86 2fwe s PHE 531 N -3.71 2.44 -0.04 1.90 5.36 -1.26 -4.95 117.98 117.72 2fwe s PHE 531 Ca 0.22 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2fwe s PHE 531 Cb -0.02 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.72 2fwe s PHE 531 CO 0.11 -3.04 -0.04 -1.64 -1.46 0.00 0.00 175.22 169.14 2fwe s MET 532 N -2.42 0.75 1.05 10.12 -1.94 -1.26 -5.10 119.30 120.49 2fwe s MET 532 Ca 0.60 -0.11 -0.16 0.00 -1.71 0.00 0.00 55.69 54.32 2fwe s MET 532 Cb -0.45 -0.76 0.22 0.00 2.01 0.00 0.00 34.83 35.85 2fwe s MET 532 CO 0.58 -0.05 1.15 0.16 -0.01 0.00 0.00 175.02 176.85 2fwe s ASP 533 N 0.76 2.27 0.23 3.03 1.47 -1.26 -4.66 116.67 118.52 2fwe s ASP 533 Ca -0.10 0.76 -0.05 0.00 1.18 0.00 0.00 52.55 54.34 2fwe s ASP 533 Cb -0.13 -1.14 0.24 0.00 -0.34 0.00 0.00 42.92 41.55 2fwe s ASP 533 CO 0.00 -3.30 1.77 0.00 0.68 0.00 0.00 175.17 174.32 2fwe h ALA 534 N -2.02 1.07 -0.44 2.11 0.00 -1.88 0.27 119.26 118.37 2fwe h ALA 534 Ca -0.48 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 2fwe h ALA 534 Cb 1.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2fwe h ALA 534 CO 0.47 0.62 -0.28 1.49 0.00 0.00 0.00 179.25 181.55 2fwe h GLU 535 N 0.97 0.96 -0.34 0.00 4.81 -1.94 0.00 114.58 119.05 2fwe h GLU 535 Ca 0.21 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2fwe h GLU 535 Cb 0.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2fwe h GLU 535 CO -0.00 1.11 -0.06 1.15 -0.73 0.00 0.00 179.01 180.48 2fwe h THR 536 N 0.81 1.27 -0.63 0.32 2.02 -1.85 -1.70 112.91 113.15 2fwe h THR 536 Ca 0.09 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.09 2fwe h THR 536 Cb 0.86 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2fwe h THR 536 CO 0.08 0.36 0.06 0.15 0.37 0.00 0.00 175.52 176.53 2fwe h PHE 537 N 0.42 1.15 -0.67 3.16 3.57 -0.35 -1.33 116.94 122.88 2fwe h PHE 537 Ca 0.09 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 2fwe h PHE 537 Cb 0.55 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2fwe h PHE 537 CO 0.05 0.98 0.40 0.77 -2.23 0.00 0.00 178.31 178.28 2fwe h SER 538 N 0.99 0.81 -0.63 0.41 0.02 -0.87 0.42 113.55 114.70 2fwe h SER 538 Ca 0.19 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2fwe h SER 538 Cb 0.49 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2fwe h SER 538 CO 0.02 0.64 0.11 0.00 -1.14 0.00 0.00 176.83 176.46 2fwe h ALA 539 N 1.21 0.96 -0.71 3.77 0.00 -1.08 -1.40 119.26 122.01 2fwe h ALA 539 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2fwe h ALA 539 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2fwe h ALA 539 CO -0.04 0.65 0.29 1.25 0.00 0.00 0.00 179.25 181.39 2fwe h HIS 540 N 1.00 1.06 -0.51 0.00 6.17 -0.33 -2.36 115.15 120.18 2fwe h HIS 540 Ca 0.20 -0.07 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 2fwe h HIS 540 Cb 0.42 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 30.01 2fwe h HIS 540 CO 0.03 0.81 0.19 -0.07 0.71 0.00 0.00 177.93 179.60 2fwe h LEU 541 N 1.03 0.72 -1.51 0.26 3.38 -0.40 -2.71 115.31 116.09 2fwe h LEU 541 Ca 0.24 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2fwe h LEU 541 Cb 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2fwe h LEU 541 CO -0.02 0.71 0.44 -0.09 0.09 0.00 0.00 178.44 179.57 2fwe h ARG 542 N 0.69 0.55 -0.07 1.13 2.43 -0.85 -2.41 114.38 115.86 2fwe h ARG 542 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2fwe h ARG 542 Cb 0.22 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2fwe h ARG 542 CO -0.01 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.56 2fwe n ASP 543 N -4.48 0.60 -4.75 -3.80 9.92 -0.93 -4.90 116.55 108.21 2fwe n ASP 543 Ca 0.11 -1.60 -0.32 0.00 -0.53 0.00 0.00 54.79 52.45 2fwe n ASP 543 Cb 0.32 -0.04 0.09 0.00 -0.64 0.00 0.00 41.12 40.84 2fwe n ASP 543 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2fwe s ARG 544 N -1.91 2.24 0.15 -1.24 0.52 -0.91 -4.96 118.95 112.84 2fwe s ARG 544 Ca 0.26 1.36 -0.34 0.00 -0.52 0.00 0.00 55.73 56.49 2fwe s ARG 544 Cb 0.13 -1.88 -0.16 0.00 0.52 0.00 0.00 34.95 33.56 2fwe s ARG 544 CO 0.20 -1.68 1.25 0.94 0.02 0.00 0.00 175.30 176.03 2fwe n GLN 545 N -3.18 1.27 -1.50 3.54 7.27 -1.26 -4.86 117.38 118.65 2fwe n GLN 545 Ca 0.10 0.45 -0.43 0.00 0.07 0.00 0.00 57.00 57.19 2fwe n GLN 545 Cb 0.52 -2.02 -0.00 0.00 2.41 0.00 0.00 30.24 31.15 2fwe n GLN 545 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2fwe n PRO 546 N 2.07 0.78 -0.27 3.69 -0.02 -1.26 -4.96 135.00 135.03 2fwe n PRO 546 Ca 0.16 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 2fwe n PRO 546 Cb 0.24 -1.57 0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2fwe n PRO 546 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2fwe n HIS 547 N -0.39 0.00 -3.67 6.00 1.44 -1.26 -4.93 115.22 112.41 2fwe n HIS 547 Ca 0.12 -0.22 -0.28 0.00 -2.01 0.00 0.00 57.72 55.33 2fwe n HIS 547 Cb 0.35 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 2fwe n HIS 547 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2fwe s HIS 548 N -0.61 3.48 -2.47 -1.40 3.76 -1.26 -4.81 115.29 111.98 2fwe s HIS 548 Ca 0.06 0.37 0.28 0.00 -0.15 0.00 0.00 55.06 55.62 2fwe s HIS 548 Cb 0.05 -1.87 1.10 0.00 1.11 0.00 0.00 32.58 32.97 2fwe s HIS 548 CO 0.01 0.37 1.77 0.72 -0.85 0.00 0.00 174.74 176.76