#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fm8 s PHE 449 N 0.00 0.13 -0.22 0.00 -0.12 -0.74 -0.74 117.98 116.28 3fm8 s PHE 449 Ca 0.00 -0.51 -0.07 0.00 -0.05 0.00 0.00 56.93 56.30 3fm8 s PHE 449 Cb 0.00 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 3fm8 s PHE 449 CO 0.00 -0.65 0.07 -0.51 -0.05 0.00 0.00 175.22 174.08 3fm8 s LEU 450 N -2.88 3.60 -0.28 -1.99 1.43 0.24 -0.94 118.68 117.87 3fm8 s LEU 450 Ca 0.08 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 3fm8 s LEU 450 Cb 0.03 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3fm8 s LEU 450 CO -0.08 0.05 0.51 -0.69 0.23 0.00 0.00 176.35 176.37 3fm8 s VAL 451 N 1.14 5.06 -0.39 -1.59 1.01 0.10 -0.66 120.40 125.06 3fm8 s VAL 451 Ca 0.04 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 3fm8 s VAL 451 Cb -0.14 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3fm8 s VAL 451 CO 0.03 0.02 1.69 0.21 0.00 0.00 0.00 175.10 177.05 3fm8 s ASN 452 N 1.60 5.95 0.23 3.32 3.84 0.33 -0.40 114.94 129.81 3fm8 s ASN 452 Ca 0.21 1.02 0.23 0.00 0.21 0.00 0.00 52.86 54.53 3fm8 s ASN 452 Cb -0.16 -2.53 0.94 0.00 -0.55 0.00 0.00 41.25 38.95 3fm8 s ASN 452 CO 0.10 -1.71 1.70 0.18 -2.79 0.00 0.00 177.10 174.58 3fm8 n LEU 453 N 10.14 0.62 -0.88 3.21 4.77 -0.20 -2.53 117.00 132.12 3fm8 n LEU 453 Ca 0.20 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.95 3fm8 n LEU 453 Cb 0.48 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 41.19 3fm8 n LEU 453 CO 0.69 -0.50 0.67 0.59 -1.33 0.00 0.00 177.39 177.51 3fm8 n ASN 454 N -2.17 2.75 -4.68 -1.43 5.03 -1.26 -4.93 115.26 108.57 3fm8 n ASN 454 Ca 0.03 -1.92 -0.42 0.00 0.87 0.00 0.00 54.58 53.13 3fm8 n ASN 454 Cb 0.24 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.98 3fm8 n ASN 454 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fm8 s ALA 455 N -2.00 3.56 -0.30 5.41 0.00 -1.05 -4.98 121.76 122.40 3fm8 s ALA 455 Ca 0.30 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 3fm8 s ALA 455 Cb 0.20 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3fm8 s ALA 455 CO 0.31 -0.93 1.01 0.34 0.00 0.00 0.00 175.76 176.48 3fm8 s ASP 456 N 1.77 6.91 0.58 0.00 -1.08 -1.26 -4.93 116.67 118.66 3fm8 s ASP 456 Ca 0.58 1.03 0.28 0.00 -0.52 0.00 0.00 52.55 53.92 3fm8 s ASP 456 Cb -0.26 -2.51 1.71 0.00 -1.46 0.00 0.00 42.92 40.40 3fm8 s ASP 456 CO 0.21 -0.78 2.19 1.55 0.52 0.00 0.00 175.17 178.86 3fm8 h PRO 457 N 7.97 0.00 -0.00 4.34 0.13 -1.93 -0.92 132.00 141.58 3fm8 h PRO 457 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3fm8 h PRO 457 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3fm8 h PRO 457 CO 0.99 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.67 3fm8 n ALA 458 N -2.35 2.68 -2.62 -0.56 0.00 -1.26 -4.82 120.51 111.58 3fm8 n ALA 458 Ca -0.01 -0.22 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 3fm8 n ALA 458 Cb 0.18 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 3fm8 n ALA 458 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fm8 s LEU 459 N -2.56 3.14 -1.06 0.00 1.43 -0.35 -5.03 118.68 114.25 3fm8 s LEU 459 Ca 0.27 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 3fm8 s LEU 459 Cb 0.20 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 3fm8 s LEU 459 CO 0.48 0.04 1.93 0.59 0.23 0.00 0.00 176.35 179.63 3fm8 n ASN 460 N -0.51 3.16 -4.01 2.29 3.02 -1.26 -4.85 115.26 113.08 3fm8 n ASN 460 Ca -0.08 -2.73 -0.22 0.00 -0.03 0.00 0.00 54.58 51.52 3fm8 n ASN 460 Cb 0.57 -1.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.09 3fm8 n ASN 460 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fm8 s GLU 461 N 5.37 1.16 -0.08 3.52 2.02 -1.26 -5.12 118.70 124.32 3fm8 s GLU 461 Ca 0.61 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.96 3fm8 s GLU 461 Cb 0.07 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 3fm8 s GLU 461 CO 0.11 0.10 1.55 -1.17 0.02 0.00 0.00 175.26 175.86 3fm8 s LEU 462 N 0.32 4.29 -0.11 1.80 0.20 -1.26 -4.92 118.68 119.00 3fm8 s LEU 462 Ca -0.06 2.09 0.09 0.00 0.69 0.00 0.00 54.13 56.94 3fm8 s LEU 462 Cb -0.11 -3.53 -0.24 0.00 -0.43 0.00 0.00 46.19 41.88 3fm8 s LEU 462 CO 0.01 -0.88 0.39 -0.11 -0.29 0.00 0.00 176.35 175.47 3fm8 n LEU 463 N 6.98 1.27 -4.12 -0.68 7.94 -1.26 -4.77 117.00 122.36 3fm8 n LEU 463 Ca 0.16 0.23 -0.25 0.00 -1.11 0.00 0.00 56.01 55.05 3fm8 n LEU 463 Cb 0.43 -0.14 -0.16 0.00 0.53 0.00 0.00 43.42 44.09 3fm8 n LEU 463 CO 0.61 0.56 -0.49 -0.69 -1.11 0.00 0.00 177.39 176.27 3fm8 s VAL 464 N -2.56 1.29 -0.15 1.96 1.01 -1.26 -0.51 120.40 120.18 3fm8 s VAL 464 Ca -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3fm8 s VAL 464 Cb 0.07 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3fm8 s VAL 464 CO 0.79 0.38 -0.15 -0.31 0.00 0.00 0.00 175.10 175.81 3fm8 s TYR 465 N -0.03 2.24 0.22 5.22 1.51 0.16 -4.98 117.35 121.71 3fm8 s TYR 465 Ca -0.02 -1.24 -0.28 0.00 -1.01 0.00 0.00 57.07 54.52 3fm8 s TYR 465 Cb -0.10 -1.63 -0.09 0.00 -0.11 0.00 0.00 41.96 40.04 3fm8 s TYR 465 CO 0.01 -0.66 0.89 0.71 -1.11 0.00 0.00 175.55 175.39 3fm8 s TYR 466 N 1.37 3.94 0.27 2.71 1.51 -1.26 0.83 117.35 126.71 3fm8 s TYR 466 Ca 0.03 1.82 -0.08 0.00 -1.01 0.00 0.00 57.07 57.83 3fm8 s TYR 466 Cb -0.13 -2.91 -0.06 0.00 -0.11 0.00 0.00 41.96 38.75 3fm8 s TYR 466 CO -0.09 0.46 0.57 -0.51 -1.11 0.00 0.00 175.55 174.86 3fm8 s LEU 467 N -1.25 4.10 0.00 -1.29 1.43 0.08 -4.90 118.68 116.85 3fm8 s LEU 467 Ca 0.40 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 3fm8 s LEU 467 Cb -0.24 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.40 3fm8 s LEU 467 CO 0.30 -0.15 0.57 0.29 0.23 0.00 0.00 176.35 177.59 3fm8 n LYS 468 N -0.54 0.68 -0.24 1.70 5.02 -1.26 -4.92 118.16 118.61 3fm8 n LYS 468 Ca -0.00 -3.05 -0.07 0.00 -2.02 0.00 0.00 58.31 53.16 3fm8 n LYS 468 Cb 0.53 0.05 0.04 0.00 -0.02 0.00 0.00 35.03 35.63 3fm8 n LYS 468 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3fm8 h GLU 469 N 0.00 1.03 -4.25 1.97 -0.00 -1.89 -3.37 114.58 108.08 3fm8 h GLU 469 Ca -0.29 -0.23 -0.63 0.00 -0.00 0.00 0.00 59.36 58.21 3fm8 h GLU 469 Cb 1.17 -0.14 -0.40 0.00 -0.00 0.00 0.00 28.75 29.38 3fm8 h GLU 469 CO 0.43 0.91 -0.73 -1.58 -0.00 0.00 0.00 179.01 178.04 3fm8 s HIS 470 N -5.38 2.96 -0.26 2.06 5.65 -1.26 0.70 115.29 119.76 3fm8 s HIS 470 Ca -0.12 -2.50 -0.06 0.00 0.25 0.00 0.00 55.06 52.62 3fm8 s HIS 470 Cb 0.14 -2.45 -0.01 0.00 -1.18 0.00 0.00 32.58 29.09 3fm8 s HIS 470 CO 0.83 -0.92 0.04 0.99 -0.65 0.00 0.00 174.74 175.03 3fm8 s THR 471 N 1.18 3.89 -0.14 0.89 2.01 0.16 -4.98 115.64 118.64 3fm8 s THR 471 Ca 0.10 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3fm8 s THR 471 Cb -0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3fm8 s THR 471 CO -0.15 0.24 0.55 -0.76 -0.69 0.00 0.00 174.62 173.82 3fm8 s LEU 472 N 1.52 4.23 -0.09 4.42 1.43 -1.26 -1.42 118.68 127.51 3fm8 s LEU 472 Ca 0.04 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 3fm8 s LEU 472 Cb -0.16 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3fm8 s LEU 472 CO 0.01 -0.11 -0.22 -0.63 0.23 0.00 0.00 176.35 175.63 3fm8 s ILE 473 N 1.13 1.87 -3.16 -0.59 1.01 -0.89 0.50 121.20 121.07 3fm8 s ILE 473 Ca 0.28 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3fm8 s ILE 473 Cb -0.16 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3fm8 s ILE 473 CO 0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3fm8 n GLY 474 N 3.54 -1.85 0.11 6.18 0.00 -0.97 -0.57 105.19 111.63 3fm8 n GLY 474 Ca -0.20 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 44.80 3fm8 n GLY 474 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fm8 h SER 475 N 0.00 0.00 -4.01 1.61 4.64 -0.62 -2.08 113.55 113.09 3fm8 h SER 475 Ca 0.00 -0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 60.71 3fm8 h SER 475 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3fm8 h SER 475 CO 0.00 0.05 0.52 0.00 -0.87 0.00 0.00 176.83 176.52 3fm8 s ALA 476 N -3.21 2.95 0.55 5.18 0.00 -0.80 -4.81 121.76 121.61 3fm8 s ALA 476 Ca 0.06 1.03 0.30 0.00 0.00 0.00 0.00 51.96 53.35 3fm8 s ALA 476 Cb 0.11 -3.43 1.47 0.00 0.00 0.00 0.00 23.12 21.27 3fm8 s ALA 476 CO 0.71 -0.82 1.90 -0.91 0.00 0.00 0.00 175.76 176.63 3fm8 h ASN 477 N 1.93 0.00 0.89 0.00 2.35 -1.91 -1.44 115.58 117.41 3fm8 h ASN 477 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 3fm8 h ASN 477 Cb 1.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 3fm8 h ASN 477 CO 0.60 0.00 -0.03 0.77 -1.65 0.00 0.00 177.43 177.12 3fm8 h SER 478 N 0.00 0.00 -3.97 5.81 4.64 -1.93 -3.46 113.55 114.65 3fm8 h SER 478 Ca 0.37 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.23 3fm8 h SER 478 Cb 1.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 3fm8 h SER 478 CO -0.00 0.03 0.37 -1.10 -0.87 0.00 0.00 176.83 175.25 3fm8 s GLN 479 N -3.73 4.31 0.14 4.77 -1.52 -0.54 -4.96 119.66 118.12 3fm8 s GLN 479 Ca 0.00 1.33 -0.07 0.00 -1.95 0.00 0.00 55.36 54.67 3fm8 s GLN 479 Cb 0.10 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.33 3fm8 s GLN 479 CO 0.54 0.02 1.37 -0.44 -0.25 0.00 0.00 175.29 176.53 3fm8 h ASP 480 N 2.52 0.71 -3.73 5.90 3.32 -0.28 -3.37 116.42 121.49 3fm8 h ASP 480 Ca -0.48 -0.47 -0.68 0.00 0.02 0.00 0.00 57.03 55.42 3fm8 h ASP 480 Cb 1.20 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.18 3fm8 h ASP 480 CO 0.63 1.24 -0.71 -0.63 -1.72 0.00 0.00 179.24 178.05 3fm8 s ILE 481 N -3.67 2.67 -0.47 0.35 1.01 -0.48 -5.00 121.20 115.62 3fm8 s ILE 481 Ca -0.08 -1.78 -0.19 0.00 0.00 0.00 0.00 60.65 58.61 3fm8 s ILE 481 Cb 0.09 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.92 3fm8 s ILE 481 CO 0.87 -0.29 0.58 -1.58 0.00 0.00 0.00 174.94 174.52 3fm8 s GLN 482 N 1.12 3.15 -0.10 2.79 0.74 -1.26 -2.30 119.66 123.79 3fm8 s GLN 482 Ca -0.00 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.65 3fm8 s GLN 482 Cb -0.20 -4.04 -0.02 0.00 1.10 0.00 0.00 33.01 29.85 3fm8 s GLN 482 CO -0.04 -1.09 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.00 3fm8 s LEU 483 N 2.55 2.93 -0.03 3.68 1.43 -0.78 -4.96 118.68 123.49 3fm8 s LEU 483 Ca 0.16 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 3fm8 s LEU 483 Cb -0.18 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3fm8 s LEU 483 CO 0.14 0.26 -0.22 0.00 0.23 0.00 0.00 176.35 176.76 3fm8 n GLY 485 N 2.68 0.62 3.70 0.00 0.00 -1.26 -5.06 105.19 105.86 3fm8 n GLY 485 Ca -0.16 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 3fm8 n GLY 485 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3fm8 n MET 486 N -1.32 2.49 -0.86 1.61 0.00 -1.26 -2.60 117.12 115.18 3fm8 n MET 486 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.70 58.60 3fm8 n MET 486 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 33.22 30.51 3fm8 n MET 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3fm8 n GLY 487 N 3.72 0.55 3.56 -5.12 0.00 -1.26 -1.45 105.19 105.18 3fm8 n GLY 487 Ca 0.16 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3fm8 n GLY 487 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fm8 s ILE 488 N -2.00 4.14 0.26 -0.61 -1.09 -1.07 -3.86 121.20 116.96 3fm8 s ILE 488 Ca 0.00 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3fm8 s ILE 488 Cb 0.00 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 3fm8 s ILE 488 CO 0.00 0.51 0.50 -0.76 -1.23 0.00 0.00 174.94 173.96 3fm8 s LEU 489 N 0.13 4.12 0.33 2.97 1.43 -1.26 -4.79 118.68 121.60 3fm8 s LEU 489 Ca 0.00 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3fm8 s LEU 489 Cb -0.13 -3.41 0.97 0.00 0.03 0.00 0.00 46.19 43.65 3fm8 s LEU 489 CO 0.02 -0.14 1.59 -0.65 0.23 0.00 0.00 176.35 177.40 3fm8 h PRO 490 N 1.81 0.05 -4.28 1.29 0.11 -1.91 -0.83 132.00 128.23 3fm8 h PRO 490 Ca -0.48 -0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 3fm8 h PRO 490 Cb 1.19 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 31.91 3fm8 h PRO 490 CO 0.67 0.03 -0.79 -1.21 -0.21 0.00 0.00 178.00 176.49 3fm8 s GLU 491 N -5.81 1.57 -0.05 1.05 2.02 -1.26 -1.91 118.70 114.30 3fm8 s GLU 491 Ca -0.11 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.04 3fm8 s GLU 491 Cb 0.30 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 3fm8 s GLU 491 CO 0.78 -0.55 -0.04 1.58 0.02 0.00 0.00 175.26 177.05 3fm8 n HIS 492 N 4.74 0.00 -3.93 1.61 -0.00 0.27 -4.84 115.22 113.06 3fm8 n HIS 492 Ca -0.12 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.97 3fm8 n HIS 492 Cb 0.45 -0.21 -0.05 0.00 -0.12 0.00 0.00 29.99 30.06 3fm8 n HIS 492 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fm8 s ILE 494 N -3.98 -0.09 -0.11 0.00 1.01 -0.25 -2.10 121.20 115.69 3fm8 s ILE 494 Ca 0.18 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.07 3fm8 s ILE 494 Cb 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 3fm8 s ILE 494 CO 0.05 0.09 -0.17 -0.63 0.00 0.00 0.00 174.94 174.28 3fm8 s ILE 495 N 1.38 2.71 -0.08 2.92 1.01 -0.50 0.47 121.20 129.11 3fm8 s ILE 495 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3fm8 s ILE 495 Cb -0.12 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 3fm8 s ILE 495 CO -0.05 0.54 -0.22 -1.81 0.00 0.00 0.00 174.94 173.40 3fm8 s ASP 496 N 0.22 2.82 -0.36 3.58 1.01 -0.28 0.39 116.67 124.04 3fm8 s ASP 496 Ca -0.11 -0.49 -0.11 0.00 0.71 0.00 0.00 52.55 52.55 3fm8 s ASP 496 Cb -0.16 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.69 3fm8 s ASP 496 CO 0.06 0.17 0.19 -0.63 0.21 0.00 0.00 175.17 175.17 3fm8 s ILE 497 N 0.22 4.57 0.76 0.77 1.01 0.22 -1.26 121.20 127.49 3fm8 s ILE 497 Ca -0.13 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 3fm8 s ILE 497 Cb -0.16 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.87 3fm8 s ILE 497 CO 0.06 -0.17 1.17 -0.89 0.00 0.00 0.00 174.94 175.11 3fm8 s THR 498 N 1.56 2.49 0.31 2.92 2.01 0.20 -4.84 115.64 120.29 3fm8 s THR 498 Ca 0.03 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.31 3fm8 s THR 498 Cb -0.19 -2.65 0.30 0.00 0.01 0.00 0.00 72.50 69.98 3fm8 s THR 498 CO 0.07 -0.16 1.71 0.77 -0.69 0.00 0.00 174.62 176.31 3fm8 h SER 499 N -0.68 0.48 -0.77 3.53 4.64 -1.98 -1.66 113.55 117.12 3fm8 h SER 499 Ca -0.46 0.15 -0.50 0.00 -0.47 0.00 0.00 61.79 60.51 3fm8 h SER 499 Cb 1.28 0.09 -0.21 0.00 -0.31 0.00 0.00 62.40 63.25 3fm8 h SER 499 CO 0.49 0.03 0.64 -0.62 -0.87 0.00 0.00 176.83 176.50 3fm8 n GLU 500 N -4.98 2.25 -0.88 4.77 1.02 -1.26 -4.86 120.64 116.70 3fm8 n GLU 500 Ca 0.25 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 3fm8 n GLU 500 Cb 0.72 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3fm8 n GLU 500 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fm8 n GLY 501 N -0.24 0.30 3.74 0.62 0.00 -0.62 -4.97 105.19 104.02 3fm8 n GLY 501 Ca 0.46 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.08 3fm8 n GLY 501 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fm8 s GLN 502 N -0.92 4.49 -0.21 1.61 0.74 -1.25 -4.80 119.66 119.32 3fm8 s GLN 502 Ca 0.00 1.05 -0.05 0.00 0.05 0.00 0.00 55.36 56.41 3fm8 s GLN 502 Cb 0.00 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 3fm8 s GLN 502 CO 0.00 0.26 -0.01 0.08 -0.55 0.00 0.00 175.29 175.07 3fm8 s VAL 503 N 0.03 3.78 -0.07 1.34 1.01 -1.26 0.60 120.40 125.82 3fm8 s VAL 503 Ca 0.38 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3fm8 s VAL 503 Cb -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3fm8 s VAL 503 CO 0.22 0.42 -0.19 -0.04 0.00 0.00 0.00 175.10 175.52 3fm8 s MET 504 N 1.18 2.28 -0.19 2.72 -1.94 -0.39 -0.29 119.30 122.67 3fm8 s MET 504 Ca 0.03 -0.67 -0.07 0.00 -1.71 0.00 0.00 55.69 53.27 3fm8 s MET 504 Cb -0.14 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 3fm8 s MET 504 CO 0.01 0.16 0.05 -1.17 -0.01 0.00 0.00 175.02 174.06 3fm8 s LEU 505 N 0.34 3.66 -0.28 -0.03 0.20 0.11 -1.13 118.68 121.55 3fm8 s LEU 505 Ca -0.13 -0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.72 3fm8 s LEU 505 Cb -0.15 -1.93 0.07 0.00 -0.43 0.00 0.00 46.19 43.75 3fm8 s LEU 505 CO 0.05 0.14 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.31 3fm8 s THR 506 N 0.59 2.07 0.46 3.68 2.01 0.18 -1.42 115.64 123.21 3fm8 s THR 506 Ca 0.02 -1.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.04 3fm8 s THR 506 Cb -0.13 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 3fm8 s THR 506 CO 0.02 -0.21 1.12 -2.16 -0.69 0.00 0.00 174.62 172.70 3fm8 s PRO 507 N 1.11 3.77 0.63 4.92 0.04 -1.26 -1.09 135.00 143.12 3fm8 s PRO 507 Ca -0.03 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 3fm8 s PRO 507 Cb -0.19 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 3fm8 s PRO 507 CO -0.07 -0.51 1.04 -0.65 0.04 0.00 0.00 177.00 176.85 3fm8 s GLN 508 N -2.81 3.36 0.37 4.56 -1.52 -0.80 -4.91 119.66 117.91 3fm8 s GLN 508 Ca 0.64 0.92 -0.28 0.00 -1.95 0.00 0.00 55.36 54.69 3fm8 s GLN 508 Cb -0.25 -2.05 -0.11 0.00 -0.22 0.00 0.00 33.01 30.38 3fm8 s GLN 508 CO 0.30 -0.76 1.44 1.63 -0.25 0.00 0.00 175.29 177.66 3fm8 n LYS 509 N -2.63 2.54 -2.06 2.91 5.02 -1.26 -3.44 118.16 119.25 3fm8 n LYS 509 Ca 0.07 0.89 -0.09 0.00 -2.02 0.00 0.00 58.31 57.16 3fm8 n LYS 509 Cb 0.54 -2.59 -0.01 0.00 -0.02 0.00 0.00 35.03 32.95 3fm8 n LYS 509 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fm8 n ASN 510 N 0.50 -3.35 -4.73 4.39 3.02 -1.26 -5.00 115.26 108.82 3fm8 n ASN 510 Ca 0.02 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.29 3fm8 n ASN 510 Cb 0.38 -2.50 -0.07 0.00 -0.61 0.00 0.00 39.78 36.98 3fm8 n ASN 510 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3fm8 s THR 511 N -2.46 4.27 -0.48 3.41 -4.23 -1.22 -5.06 115.64 109.86 3fm8 s THR 511 Ca 0.00 -0.88 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 3fm8 s THR 511 Cb 0.00 -3.05 0.03 0.00 1.34 0.00 0.00 72.50 70.82 3fm8 s THR 511 CO 0.00 0.12 0.99 -0.60 -0.54 0.00 0.00 174.62 174.59 3fm8 s ARG 512 N -2.35 3.55 -0.11 3.99 3.52 -1.26 -4.99 118.95 121.30 3fm8 s ARG 512 Ca 0.27 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 56.04 3fm8 s ARG 512 Cb -0.12 -3.94 0.06 0.00 -1.56 0.00 0.00 34.95 29.39 3fm8 s ARG 512 CO 0.20 -1.31 0.21 0.99 -0.81 0.00 0.00 175.30 174.58 3fm8 s THR 513 N 3.99 -0.34 -0.01 4.11 2.01 -1.26 -1.60 115.64 122.54 3fm8 s THR 513 Ca 0.39 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.74 3fm8 s THR 513 Cb -0.10 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 3fm8 s THR 513 CO 0.27 0.11 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 3fm8 s PHE 514 N 2.36 1.71 -0.11 4.92 0.40 -0.79 -1.52 117.98 124.95 3fm8 s PHE 514 Ca 0.02 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 3fm8 s PHE 514 Cb -0.12 -1.09 0.01 0.00 0.51 0.00 0.00 43.02 42.32 3fm8 s PHE 514 CO -0.08 -0.02 -0.19 0.08 0.70 0.00 0.00 175.22 175.71 3fm8 s VAL 515 N -0.46 1.75 -1.64 -0.44 1.01 -0.05 -1.40 120.40 119.16 3fm8 s VAL 515 Ca 0.07 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 3fm8 s VAL 515 Cb -0.07 -1.56 0.17 0.00 0.00 0.00 0.00 36.38 34.92 3fm8 s VAL 515 CO -0.01 0.49 0.67 0.59 0.00 0.00 0.00 175.10 176.84 3fm8 n ASN 516 N 3.93 -2.80 0.00 3.32 3.02 0.32 -1.93 115.26 121.12 3fm8 n ASN 516 Ca -0.20 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3fm8 n ASN 516 Cb 0.52 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3fm8 n ASN 516 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fm8 n GLY 517 N -1.22 0.87 3.28 7.41 0.00 -1.26 -5.03 105.19 109.24 3fm8 n GLY 517 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3fm8 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fm8 s SER 518 N -2.90 2.71 0.67 1.61 1.04 -0.81 -5.04 113.70 110.97 3fm8 s SER 518 Ca 0.00 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 3fm8 s SER 518 Cb 0.00 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.89 3fm8 s SER 518 CO 0.00 0.20 1.13 -0.94 0.98 0.00 0.00 173.24 174.61 3fm8 s SER 519 N -1.13 4.92 -0.06 7.02 1.04 -1.26 -0.87 113.70 123.36 3fm8 s SER 519 Ca 0.09 2.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.57 3fm8 s SER 519 Cb -0.09 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.51 3fm8 s SER 519 CO 0.02 -1.76 0.13 -0.69 0.98 0.00 0.00 173.24 171.92 3fm8 s VAL 520 N -2.26 -0.12 0.00 5.02 1.01 -0.57 -4.83 120.40 118.64 3fm8 s VAL 520 Ca 0.68 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3fm8 s VAL 520 Cb -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3fm8 s VAL 520 CO 0.42 0.11 0.40 -1.54 0.00 0.00 0.00 175.10 174.49 3fm8 n SER 521 N 4.62 0.42 -4.21 3.32 3.41 -1.26 -4.65 113.62 115.27 3fm8 n SER 521 Ca -0.19 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.16 3fm8 n SER 521 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3fm8 n SER 521 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fm8 s SER 522 N -0.14 0.51 0.24 4.04 1.04 -1.26 -4.88 113.70 113.25 3fm8 s SER 522 Ca 0.00 -1.30 -0.31 0.00 0.48 0.00 0.00 55.95 54.82 3fm8 s SER 522 Cb 0.00 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 3fm8 s SER 522 CO 0.00 -0.75 1.38 -2.65 0.98 0.00 0.00 173.24 172.20 3fm8 n PRO 523 N -0.24 1.97 -3.93 4.02 -0.02 -1.26 -4.70 135.00 130.84 3fm8 n PRO 523 Ca -0.02 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 3fm8 n PRO 523 Cb 0.65 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 3fm8 n PRO 523 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3fm8 s ILE 524 N -0.14 0.09 0.01 4.25 2.07 -0.51 -4.99 121.20 121.99 3fm8 s ILE 524 Ca 0.68 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.59 3fm8 s ILE 524 Cb -0.66 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 3fm8 s ILE 524 CO 0.51 0.04 0.93 -1.58 -1.91 0.00 0.00 174.94 172.92 3fm8 s GLN 525 N 0.06 4.57 0.05 3.50 0.74 -1.26 -0.71 119.66 126.60 3fm8 s GLN 525 Ca -0.00 1.34 -0.04 0.00 0.05 0.00 0.00 55.36 56.71 3fm8 s GLN 525 Cb -0.02 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 3fm8 s GLN 525 CO -0.00 0.03 0.27 -0.51 -0.55 0.00 0.00 175.29 174.52 3fm8 s LEU 526 N 0.75 4.34 0.37 3.68 1.43 0.60 -4.96 118.68 124.90 3fm8 s LEU 526 Ca 0.49 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.12 3fm8 s LEU 526 Cb -0.21 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.06 3fm8 s LEU 526 CO 0.27 0.19 -0.01 -1.00 0.23 0.00 0.00 176.35 176.03 3fm8 s HIS 527 N -1.44 2.35 0.13 0.29 3.76 -1.26 -4.41 115.29 114.71 3fm8 s HIS 527 Ca 0.32 -0.69 -0.31 0.00 -0.15 0.00 0.00 55.06 54.24 3fm8 s HIS 527 Cb -0.13 -1.56 -0.09 0.00 1.11 0.00 0.00 32.58 31.91 3fm8 s HIS 527 CO 0.21 0.39 1.60 -1.58 -0.85 0.00 0.00 174.74 174.51 3fm8 s HIS 528 N -2.82 2.82 0.00 1.40 2.46 -1.26 -1.83 115.29 116.06 3fm8 s HIS 528 Ca 0.34 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.39 3fm8 s HIS 528 Cb 0.08 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 3fm8 s HIS 528 CO 0.17 -3.57 0.00 0.41 -2.47 0.00 0.00 174.74 169.28 3fm8 n GLY 529 N 3.84 0.69 3.76 1.59 0.00 0.12 -4.99 105.19 110.20 3fm8 n GLY 529 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3fm8 n GLY 529 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fm8 s ASP 530 N -2.98 5.90 -0.15 1.61 1.01 -0.76 -4.64 116.67 116.66 3fm8 s ASP 530 Ca 0.00 2.65 -0.03 0.00 0.71 0.00 0.00 52.55 55.89 3fm8 s ASP 530 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3fm8 s ASP 530 CO 0.00 -1.13 -0.07 -0.13 0.21 0.00 0.00 175.17 174.05 3fm8 s ARG 531 N -2.57 3.57 -0.10 8.23 0.52 -1.26 -1.05 118.95 126.30 3fm8 s ARG 531 Ca 0.63 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 3fm8 s ARG 531 Cb -0.38 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3fm8 s ARG 531 CO 0.47 0.22 -0.21 0.42 0.02 0.00 0.00 175.30 176.22 3fm8 s ILE 532 N 0.38 2.37 -0.20 1.52 1.01 -0.03 -0.52 121.20 125.73 3fm8 s ILE 532 Ca -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3fm8 s ILE 532 Cb -0.15 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3fm8 s ILE 532 CO 0.04 0.55 -0.10 -0.22 0.00 0.00 0.00 174.94 175.21 3fm8 s LEU 533 N 0.20 2.61 -0.09 2.97 2.96 -0.50 -0.96 118.68 125.88 3fm8 s LEU 533 Ca -0.13 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 3fm8 s LEU 533 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3fm8 s LEU 533 CO 0.07 -0.01 -0.08 0.26 -1.32 0.00 0.00 176.35 175.27 3fm8 s TRP 534 N 1.40 2.91 0.00 5.38 0.51 -0.06 -1.88 118.94 127.20 3fm8 s TRP 534 Ca 0.05 -0.12 0.00 0.00 -2.12 0.00 0.00 56.10 53.92 3fm8 s TRP 534 Cb -0.14 -1.75 0.00 0.00 -0.81 0.00 0.00 33.47 30.77 3fm8 s TRP 534 CO -0.07 0.20 0.00 0.41 -0.51 0.00 0.00 176.95 176.99 3fm8 n GLY 535 N 2.57 2.14 0.07 0.98 0.00 -0.63 -1.56 105.19 108.77 3fm8 n GLY 535 Ca -0.18 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3fm8 n GLY 535 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fm8 h ASN 536 N 9.37 0.03 -0.05 1.61 -0.73 -1.50 -3.43 115.58 120.88 3fm8 h ASN 536 Ca 0.00 -0.76 -0.17 0.00 1.87 0.00 0.00 56.30 57.24 3fm8 h ASN 536 Cb 0.00 -0.01 -0.29 0.00 0.27 0.00 0.00 38.32 38.29 3fm8 h ASN 536 CO 0.00 0.79 -0.76 -3.20 -0.37 0.00 0.00 177.43 173.88 3fm8 n ASN 537 N -4.69 0.28 -4.46 1.15 5.15 -1.25 -5.01 115.26 106.42 3fm8 n ASN 537 Ca -0.09 -2.02 -0.43 0.00 -0.60 0.00 0.00 54.58 51.43 3fm8 n ASN 537 Cb 0.39 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.54 3fm8 n ASN 537 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3fm8 s HIS 538 N -0.47 2.90 -0.27 1.20 3.76 -0.60 -4.97 115.29 116.84 3fm8 s HIS 538 Ca 0.21 -1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.07 3fm8 s HIS 538 Cb 0.27 -4.32 0.03 0.00 1.11 0.00 0.00 32.58 29.67 3fm8 s HIS 538 CO -0.10 -1.58 -0.02 0.12 -0.85 0.00 0.00 174.74 172.31 3fm8 s PHE 539 N 3.39 3.12 0.14 1.40 5.36 -1.26 -0.88 117.98 129.24 3fm8 s PHE 539 Ca 0.30 -1.49 0.07 0.00 -0.96 0.00 0.00 56.93 54.85 3fm8 s PHE 539 Cb -0.09 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.44 3fm8 s PHE 539 CO -0.02 -0.71 -0.15 -0.06 -1.46 0.00 0.00 175.22 172.82 3fm8 s PHE 540 N 1.35 1.53 0.01 10.12 0.40 -0.14 -1.03 117.98 130.22 3fm8 s PHE 540 Ca -0.00 -0.54 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 3fm8 s PHE 540 Cb -0.17 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 3fm8 s PHE 540 CO -0.02 0.20 -0.25 0.50 0.70 0.00 0.00 175.22 176.35 3fm8 s ARG 541 N -2.77 1.87 -0.21 0.44 3.52 0.47 -0.85 118.95 121.42 3fm8 s ARG 541 Ca 0.12 -0.97 -0.14 0.00 -0.13 0.00 0.00 55.73 54.61 3fm8 s ARG 541 Cb -0.05 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 3fm8 s ARG 541 CO 0.04 0.51 0.29 -1.17 -0.81 0.00 0.00 175.30 174.16 3fm8 s LEU 542 N -0.87 4.16 -0.29 -0.88 2.96 -0.21 0.02 118.68 123.57 3fm8 s LEU 542 Ca 0.10 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 3fm8 s LEU 542 Cb -0.10 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.28 3fm8 s LEU 542 CO 0.00 0.01 0.03 0.21 -1.32 0.00 0.00 176.35 175.28 3fm8 s ASN 543 N 0.91 4.86 -0.02 3.68 3.84 -0.11 0.13 114.94 128.23 3fm8 s ASN 543 Ca 0.14 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.32 3fm8 s ASN 543 Cb -0.14 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 3fm8 s ASN 543 CO 0.06 -0.20 0.02 -0.76 -2.79 0.00 0.00 177.10 173.43 3fm8 s LEU 544 N 1.40 3.64 0.00 3.21 1.43 -1.26 -1.79 118.68 125.31 3fm8 s LEU 544 Ca 0.00 0.08 0.32 0.00 -1.03 0.00 0.00 54.13 53.49 3fm8 s LEU 544 Cb -0.18 -2.03 1.81 0.00 0.03 0.00 0.00 46.19 45.82 3fm8 s LEU 544 CO -0.00 0.30 2.18 -0.81 0.23 0.00 0.00 176.35 178.25