#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3blj s LEU 460 N 0.00 3.97 0.38 3.41 1.43 -1.26 -5.00 118.68 121.62 3blj s LEU 460 Ca 0.00 1.54 -0.27 0.00 -1.03 0.00 0.00 54.13 54.37 3blj s LEU 460 Cb 0.00 -4.38 -0.11 0.00 0.03 0.00 0.00 46.19 41.73 3blj s LEU 460 CO 0.00 -0.31 1.39 -2.65 0.23 0.00 0.00 176.35 175.01 3blj n PRO 461 N -0.57 2.34 0.00 1.29 -0.02 -1.26 -4.91 135.00 131.88 3blj n PRO 461 Ca 0.06 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.47 3blj n PRO 461 Cb 0.54 -2.52 0.49 0.00 -0.02 0.00 0.00 33.50 31.99 3blj n PRO 461 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3blj n GLU 462 N 0.32 0.00 0.00 -0.52 4.71 -1.26 -2.22 120.64 121.67 3blj n GLU 462 Ca 0.04 0.10 0.14 0.00 -0.01 0.00 0.00 57.16 57.43 3blj n GLU 462 Cb 0.39 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 29.90 3blj n GLU 462 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 3blj n HIS 463 N -1.51 0.00 -2.38 -0.32 1.44 -1.26 -4.87 115.22 106.32 3blj n HIS 463 Ca 0.06 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.36 3blj n HIS 463 Cb 0.27 -0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 3blj n HIS 463 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3blj s TRP 464 N -2.47 3.44 0.16 -1.40 0.52 -0.94 -4.99 118.94 113.25 3blj s TRP 464 Ca 0.29 1.60 -0.33 0.00 0.02 0.00 0.00 56.10 57.68 3blj s TRP 464 Cb 0.20 -3.40 -0.16 0.00 -1.15 0.00 0.00 33.47 28.96 3blj s TRP 464 CO 0.48 -0.93 1.05 2.41 0.02 0.00 0.00 176.95 179.97 3blj n THR 465 N 1.25 0.99 -2.12 2.01 -1.04 -1.26 -4.92 114.28 109.20 3blj n THR 465 Ca -0.00 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 3blj n THR 465 Cb 0.44 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.31 3blj n THR 465 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3blj s ASP 466 N -0.18 6.76 0.00 8.00 2.15 -1.26 -4.90 116.67 127.24 3blj s ASP 466 Ca 0.73 2.21 0.24 0.00 0.43 0.00 0.00 52.55 56.17 3blj s ASP 466 Cb -0.91 -2.56 0.31 0.00 -0.30 0.00 0.00 42.92 39.46 3blj s ASP 466 CO 0.54 -0.80 1.29 0.23 -0.17 0.00 0.00 175.17 176.26 3blj n MET 467 N 5.78 1.21 -3.20 4.34 2.81 -1.26 -5.00 117.12 121.80 3blj n MET 467 Ca 0.15 -0.91 -0.07 0.00 -1.81 0.00 0.00 57.70 55.05 3blj n MET 467 Cb 0.43 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.47 3blj n MET 467 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3blj n ASN 468 N -0.10 -7.18 0.00 7.83 3.02 -1.26 -2.95 115.26 114.63 3blj n ASN 468 Ca 0.11 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3blj n ASN 468 Cb 0.44 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3blj n ASN 468 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3blj n HIS 469 N -2.27 0.00 -1.73 3.10 8.25 -1.26 -4.96 115.22 116.35 3blj n HIS 469 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 3blj n HIS 469 Cb 0.55 -1.26 0.03 0.00 1.12 0.00 0.00 29.99 30.43 3blj n HIS 469 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3blj s GLN 470 N -0.79 3.14 -0.01 -0.41 -0.21 -1.15 -5.01 119.66 115.21 3blj s GLN 470 Ca 0.00 0.97 0.15 0.00 0.02 0.00 0.00 55.36 56.50 3blj s GLN 470 Cb 0.00 -2.02 -0.20 0.00 1.00 0.00 0.00 33.01 31.79 3blj s GLN 470 CO 0.00 -0.94 0.45 1.28 -2.12 0.00 0.00 175.29 173.96 3blj n LEU 471 N -2.82 0.28 -3.85 2.90 4.77 -1.26 -4.83 117.00 112.19 3blj n LEU 471 Ca 0.07 -0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 3blj n LEU 471 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 3blj n LEU 471 CO 0.54 0.07 -0.29 0.12 -1.33 0.00 0.00 177.39 176.50 3blj s PHE 472 N -2.78 -0.07 -0.28 -1.77 2.19 -1.26 -0.92 117.98 113.09 3blj s PHE 472 Ca -0.01 0.16 -0.21 0.00 0.33 0.00 0.00 56.93 57.20 3blj s PHE 472 Cb 0.10 0.02 0.08 0.00 -1.31 0.00 0.00 43.02 41.92 3blj s PHE 472 CO 0.62 -0.03 0.74 0.00 1.83 0.00 0.00 175.22 178.38 3blj s MET 474 N 0.86 3.90 -0.24 0.00 -1.94 -1.26 -0.23 119.30 120.40 3blj s MET 474 Ca -0.04 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.55 3blj s MET 474 Cb -0.05 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.28 3blj s MET 474 CO -0.08 -0.09 -0.03 0.08 -0.01 0.00 0.00 175.02 174.90 3blj s VAL 475 N 1.44 3.36 0.06 -6.03 1.01 0.12 -4.91 120.40 115.46 3blj s VAL 475 Ca 0.07 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 3blj s VAL 475 Cb -0.15 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 3blj s VAL 475 CO 0.07 0.33 1.30 -1.58 0.00 0.00 0.00 175.10 175.22 3blj s GLN 476 N 1.45 4.36 0.55 2.72 0.74 -1.26 0.93 119.66 129.15 3blj s GLN 476 Ca 0.04 1.90 -0.01 0.00 0.05 0.00 0.00 55.36 57.33 3blj s GLN 476 Cb -0.15 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.61 3blj s GLN 476 CO -0.03 -0.39 0.80 -0.51 -0.55 0.00 0.00 175.29 174.62 3blj s LEU 477 N 1.42 3.31 -0.15 3.68 1.43 0.52 -4.91 118.68 123.97 3blj s LEU 477 Ca 0.61 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3blj s LEU 477 Cb -0.32 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3blj s LEU 477 CO 0.28 -1.07 -0.11 -0.70 0.23 0.00 0.00 176.35 174.99 3blj s GLU 478 N -4.82 1.96 0.62 1.70 2.56 -1.26 -4.72 118.70 114.74 3blj s GLU 478 Ca 0.54 -0.54 0.26 0.00 0.00 0.00 0.00 54.97 55.23 3blj s GLU 478 Cb -0.10 -2.04 1.25 0.00 2.00 0.00 0.00 34.13 35.24 3blj s GLU 478 CO 0.40 -0.31 1.69 -1.35 -0.56 0.00 0.00 175.26 175.14 3blj h PRO 479 N 8.07 0.00 -0.02 4.30 0.11 -1.97 -0.15 132.00 142.34 3blj h PRO 479 Ca -0.32 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 3blj h PRO 479 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3blj h PRO 479 CO 0.47 0.00 -0.50 0.78 -0.21 0.00 0.00 178.00 178.55 3blj h GLY 480 N 0.00 0.06 -3.55 -0.55 0.00 -1.99 -3.42 103.07 93.62 3blj h GLY 480 Ca 0.20 -0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.90 3blj h GLY 480 CO -0.00 0.06 0.41 -1.06 0.00 0.00 0.00 176.54 175.95 3blj n GLN 481 N -3.95 1.72 0.02 4.80 6.02 -0.07 -4.88 117.38 121.04 3blj n GLN 481 Ca -0.02 0.62 0.02 0.00 -0.01 0.00 0.00 57.00 57.61 3blj n GLN 481 Cb 0.52 -2.32 0.38 0.00 1.02 0.00 0.00 30.24 29.84 3blj n GLN 481 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3blj h SER 482 N 1.80 0.43 -0.30 1.08 0.87 -1.89 -1.91 113.55 113.64 3blj h SER 482 Ca -0.47 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3blj h SER 482 Cb 1.31 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 3blj h SER 482 CO 0.58 0.42 0.19 -0.08 -0.53 0.00 0.00 176.83 177.41 3blj h GLU 483 N 0.48 0.37 -0.38 2.24 4.81 -1.93 -0.73 114.58 119.44 3blj h GLU 483 Ca 0.12 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3blj h GLU 483 Cb 0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3blj h GLU 483 CO -0.01 0.25 0.15 -0.92 -0.73 0.00 0.00 179.01 177.74 3blj h TYR 484 N 0.38 0.58 -0.03 0.92 3.20 -1.77 -3.19 116.97 117.06 3blj h TYR 484 Ca 0.12 -0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 3blj h TYR 484 Cb -0.02 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3blj h TYR 484 CO -0.07 0.53 -0.76 -0.91 -1.64 0.00 0.00 178.16 175.31 3blj h ASN 485 N 0.46 0.26 -0.51 -2.11 -0.26 -1.09 -0.22 115.58 112.12 3blj h ASN 485 Ca 0.13 -0.19 -0.09 0.00 -0.56 0.00 0.00 56.30 55.59 3blj h ASN 485 Cb 0.20 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 3blj h ASN 485 CO -0.01 0.92 -0.04 0.74 -1.06 0.00 0.00 177.43 177.99 3blj h THR 486 N 0.14 1.27 0.19 2.81 2.02 -1.22 0.13 112.91 118.25 3blj h THR 486 Ca -0.03 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 3blj h THR 486 Cb 1.33 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3blj h THR 486 CO 0.12 0.40 -0.09 0.40 0.37 0.00 0.00 175.52 176.71 3blj h ILE 487 N 0.78 0.88 -0.60 3.11 1.08 -1.49 -0.85 117.51 120.42 3blj h ILE 487 Ca 0.14 -0.40 0.11 0.00 -0.39 0.00 0.00 64.86 64.32 3blj h ILE 487 Cb 0.57 1.12 -0.12 0.00 -3.07 0.00 0.00 36.82 35.33 3blj h ILE 487 CO 0.03 0.09 -0.27 0.50 -0.69 0.00 0.00 178.15 177.82 3blj h LYS 488 N -0.46 -0.10 -0.83 2.37 3.64 -0.97 -0.00 116.57 120.21 3blj h LYS 488 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3blj h LYS 488 Cb 0.35 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3blj h LYS 488 CO 0.04 -0.07 0.48 -0.44 -2.27 0.00 0.00 179.45 177.19 3blj h ASP 489 N -0.11 1.02 -0.59 4.20 3.32 -0.60 0.22 116.42 123.87 3blj h ASP 489 Ca 0.26 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3blj h ASP 489 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3blj h ASP 489 CO -0.67 0.80 0.30 0.50 -1.72 0.00 0.00 179.24 178.46 3blj h LYS 490 N 1.15 0.84 0.13 3.56 3.64 -0.42 -0.81 116.57 124.67 3blj h LYS 490 Ca 0.30 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3blj h LYS 490 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3blj h LYS 490 CO -0.05 0.67 -0.06 0.35 -2.27 0.00 0.00 179.45 178.08 3blj h PHE 491 N 0.81 -0.16 0.00 1.91 3.57 -0.48 -3.20 116.94 119.38 3blj h PHE 491 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3blj h PHE 491 Cb 0.09 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3blj h PHE 491 CO -0.00 -0.01 0.00 1.79 -2.23 0.00 0.00 178.31 177.85 3blj h THR 492 N -0.28 0.00 -0.83 4.41 1.35 -0.43 -0.48 112.91 116.64 3blj h THR 492 Ca -0.02 -0.36 0.21 0.00 -0.55 0.00 0.00 66.41 65.69 3blj h THR 492 Cb 0.22 1.21 -0.14 0.00 -1.73 0.00 0.00 68.15 67.72 3blj h THR 492 CO 0.03 0.00 0.14 -0.09 -0.25 0.00 0.00 175.52 175.35 3blj h ARG 493 N 0.00 0.17 0.00 4.72 2.43 -1.14 -3.21 114.38 117.34 3blj h ARG 493 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3blj h ARG 493 Cb 0.52 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3blj h ARG 493 CO 0.00 0.11 -0.18 0.25 -1.51 0.00 0.00 179.97 178.64 3blj n THR 494 N -5.27 0.00 -2.61 0.20 -2.24 -1.08 -4.81 114.28 98.47 3blj n THR 494 Ca 0.18 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 3blj n THR 494 Cb 0.59 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 3blj n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3blj h SER 496 N 2.71 0.00 1.03 0.00 4.64 -1.80 -2.59 113.55 117.53 3blj h SER 496 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3blj h SER 496 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3blj h SER 496 CO 0.85 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 3blj n SER 497 N -3.17 0.55 -4.94 4.97 3.41 -1.26 -4.85 113.62 108.33 3blj n SER 497 Ca 0.02 0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 3blj n SER 497 Cb 0.43 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3blj n SER 497 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3blj s TYR 498 N -3.15 3.28 -0.07 7.33 2.02 -0.98 -4.92 117.35 120.87 3blj s TYR 498 Ca 0.08 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3blj s TYR 498 Cb 0.12 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3blj s TYR 498 CO 0.48 0.36 -0.14 0.00 -1.57 0.00 0.00 175.55 174.68 3blj s ALA 499 N -2.07 1.37 -0.06 3.71 0.00 -0.19 -4.98 121.76 119.54 3blj s ALA 499 Ca 0.36 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3blj s ALA 499 Cb -0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3blj s ALA 499 CO 0.28 0.14 1.11 0.42 0.00 0.00 0.00 175.76 177.72 3blj s ILE 500 N 0.58 4.49 -0.08 0.00 1.01 -1.26 -1.30 121.20 124.64 3blj s ILE 500 Ca -0.14 1.78 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 3blj s ILE 500 Cb -0.16 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 3blj s ILE 500 CO 0.04 0.02 0.61 -0.08 0.00 0.00 0.00 174.94 175.53 3blj h GLU 501 N 7.21 -0.12 -2.74 2.79 4.81 -1.13 -3.48 114.58 121.91 3blj h GLU 501 Ca -0.34 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 3blj h GLU 501 Cb 1.17 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 3blj h GLU 501 CO 0.85 0.31 0.15 -1.59 -0.73 0.00 0.00 179.01 178.01 3blj s LYS 502 N -2.64 1.17 -0.11 1.92 -2.85 -1.09 -5.01 119.74 111.12 3blj s LYS 502 Ca -0.11 -0.27 0.02 0.00 -1.00 0.00 0.00 55.97 54.61 3blj s LYS 502 Cb -0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 3blj s LYS 502 CO 0.39 -0.46 -0.15 0.42 0.10 0.00 0.00 175.35 175.65 3blj s ILE 503 N -2.89 1.49 -0.11 3.79 1.01 -1.26 -0.84 121.20 122.39 3blj s ILE 503 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3blj s ILE 503 Cb -0.01 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3blj s ILE 503 CO -0.05 0.44 -0.15 -1.61 0.00 0.00 0.00 174.94 173.57 3blj s GLU 504 N 1.00 3.21 0.07 2.79 2.02 -0.32 -0.35 118.70 127.12 3blj s GLU 504 Ca -0.06 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 3blj s GLU 504 Cb -0.15 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 3blj s GLU 504 CO -0.02 0.27 0.98 0.50 0.02 0.00 0.00 175.26 177.02 3blj s ARG 505 N 0.18 4.64 -0.28 1.61 3.52 0.26 -0.46 118.95 128.42 3blj s ARG 505 Ca -0.08 1.47 -0.12 0.00 -0.13 0.00 0.00 55.73 56.86 3blj s ARG 505 Cb -0.15 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3blj s ARG 505 CO 0.05 0.10 0.25 0.42 -0.81 0.00 0.00 175.30 175.31 3blj s ILE 506 N 0.38 5.27 -0.46 4.11 1.01 0.21 0.15 121.20 131.87 3blj s ILE 506 Ca 0.49 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3blj s ILE 506 Cb -0.23 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.76 3blj s ILE 506 CO 0.29 0.19 0.23 -1.10 0.00 0.00 0.00 174.94 174.56 3blj s GLN 507 N 1.85 1.99 -0.33 2.79 -0.21 0.68 -4.81 119.66 121.62 3blj s GLN 507 Ca 0.09 -2.16 0.04 0.00 0.02 0.00 0.00 55.36 53.35 3blj s GLN 507 Cb -0.16 -3.47 0.10 0.00 1.00 0.00 0.00 33.01 30.48 3blj s GLN 507 CO 0.11 -1.07 0.03 1.21 -2.12 0.00 0.00 175.29 173.45 3blj s ASN 508 N 0.89 4.70 0.19 5.90 3.84 -1.26 -0.71 114.94 128.50 3blj s ASN 508 Ca 0.13 -2.05 -0.13 0.00 0.21 0.00 0.00 52.86 51.01 3blj s ASN 508 Cb -0.22 -1.59 0.21 0.00 -0.55 0.00 0.00 41.25 39.10 3blj s ASN 508 CO -0.04 -0.36 1.69 0.00 -2.79 0.00 0.00 177.10 175.60 3blj h ALA 509 N 7.65 0.53 -0.14 1.71 0.00 -1.40 -0.91 119.26 126.69 3blj h ALA 509 Ca -0.06 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3blj h ALA 509 Cb 1.02 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3blj h ALA 509 CO 0.51 -0.36 -0.17 0.74 0.00 0.00 0.00 179.25 179.97 3blj h PHE 510 N 0.16 0.45 -0.57 0.00 -1.00 -1.96 -0.74 116.94 113.28 3blj h PHE 510 Ca 0.26 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 3blj h PHE 510 Cb 0.39 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 3blj h PHE 510 CO -0.28 0.78 0.29 -0.07 -1.61 0.00 0.00 178.31 177.42 3blj h LEU 511 N -0.01 0.74 -0.31 1.54 3.38 -1.87 -1.90 115.31 116.87 3blj h LEU 511 Ca 0.02 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3blj h LEU 511 Cb 0.71 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3blj h LEU 511 CO 0.04 0.64 0.05 -0.25 0.09 0.00 0.00 178.44 179.02 3blj h TRP 512 N 0.78 0.09 -0.07 1.13 2.91 -1.06 0.55 115.95 120.28 3blj h TRP 512 Ca 0.20 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.24 3blj h TRP 512 Cb 0.09 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 3blj h TRP 512 CO -0.01 0.01 0.04 0.37 -1.03 0.00 0.00 178.44 177.82 3blj h GLN 513 N 0.16 0.09 -0.55 2.65 4.15 -1.03 0.41 115.11 120.99 3blj h GLN 513 Ca 0.14 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3blj h GLN 513 Cb 0.16 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3blj h GLN 513 CO -0.20 0.14 0.21 0.77 -1.93 0.00 0.00 178.83 177.82 3blj h SER 514 N 0.03 0.77 -0.17 -0.69 0.02 -1.26 -2.35 113.55 109.90 3blj h SER 514 Ca 0.02 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3blj h SER 514 Cb 0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3blj h SER 514 CO -0.00 0.74 0.11 0.22 -1.14 0.00 0.00 176.83 176.75 3blj h TYR 515 N 0.76 0.22 -0.43 3.45 3.20 -0.85 -2.80 116.97 120.51 3blj h TYR 515 Ca 0.18 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3blj h TYR 515 Cb 0.21 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3blj h TYR 515 CO 0.01 0.15 0.19 1.96 -1.64 0.00 0.00 178.16 178.83 3blj h GLN 516 N 0.22 0.61 -0.49 1.82 1.08 -0.82 0.20 115.11 117.73 3blj h GLN 516 Ca 0.06 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3blj h GLN 516 Cb -0.01 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3blj h GLN 516 CO -0.01 0.49 0.26 0.28 -0.95 0.00 0.00 178.83 178.90 3blj h VAL 517 N 0.61 1.17 -0.17 -0.54 2.07 -1.37 -0.70 116.25 117.33 3blj h VAL 517 Ca 0.15 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 3blj h VAL 517 Cb 0.09 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3blj h VAL 517 CO -0.02 0.19 -0.32 0.11 0.02 0.00 0.00 177.57 177.55 3blj h LYS 518 N 0.65 0.33 -0.46 1.57 1.57 -1.09 -1.81 116.57 117.33 3blj h LYS 518 Ca 0.17 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3blj h LYS 518 Cb 0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3blj h LYS 518 CO -0.03 0.63 0.18 -0.22 -0.57 0.00 0.00 179.45 179.44 3blj h LYS 519 N 0.29 0.70 -0.56 3.15 3.64 -0.66 -0.87 116.57 122.26 3blj h LYS 519 Ca 0.04 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3blj h LYS 519 Cb 0.72 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3blj h LYS 519 CO 0.05 0.64 0.36 0.00 -2.27 0.00 0.00 179.45 178.23 3blj h ARG 520 N 0.61 0.75 -0.31 1.90 3.08 -0.78 0.19 114.38 119.81 3blj h ARG 520 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3blj h ARG 520 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3blj h ARG 520 CO -0.01 0.52 0.15 1.96 -1.07 0.00 0.00 179.97 181.51 3blj h GLN 521 N 0.76 0.46 -0.40 0.04 4.20 -1.21 -0.31 115.11 118.65 3blj h GLN 521 Ca 0.20 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3blj h GLN 521 Cb -0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3blj h GLN 521 CO -0.04 0.43 -0.24 1.98 -0.67 0.00 0.00 178.83 180.30 3blj h MET 522 N 0.37 0.80 -1.01 1.46 4.05 -0.80 0.11 114.93 119.91 3blj h MET 522 Ca 0.11 -0.33 0.06 0.00 -0.28 0.00 0.00 59.70 59.25 3blj h MET 522 Cb 0.13 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 3blj h MET 522 CO -0.01 0.96 0.65 -0.44 0.23 0.00 0.00 176.91 178.30 3blj h ASP 523 N 0.69 1.06 0.19 1.39 3.32 -0.32 -0.15 116.42 122.60 3blj h ASP 523 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3blj h ASP 523 Cb 0.76 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3blj h ASP 523 CO 0.06 0.69 -0.09 0.40 -1.72 0.00 0.00 179.24 178.58 3blj h ILE 524 N 1.21 0.91 -0.30 0.35 2.04 -0.59 -3.33 117.51 117.81 3blj h ILE 524 Ca 0.42 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 3blj h ILE 524 Cb 0.11 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3blj h ILE 524 CO -0.16 0.17 -0.27 0.50 0.00 0.00 0.00 178.15 178.39 3blj h LYS 525 N -0.65 0.61 -6.64 2.37 3.64 -0.62 -3.44 116.57 111.84 3blj h LYS 525 Ca -0.03 -0.25 -0.51 0.00 -1.27 0.00 0.00 60.65 58.60 3blj h LYS 525 Cb 0.47 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3blj h LYS 525 CO 0.04 0.82 -0.01 -0.80 -2.27 0.00 0.00 179.45 177.22 3blj s ASN 526 N -6.80 6.53 -0.86 4.20 0.01 -0.08 -5.00 114.94 112.94 3blj s ASN 526 Ca -0.08 0.96 -0.21 0.00 -0.71 0.00 0.00 52.86 52.82 3blj s ASN 526 Cb 0.13 -2.25 0.09 0.00 0.41 0.00 0.00 41.25 39.64 3blj s ASN 526 CO 0.81 -0.26 1.15 -0.62 -1.51 0.00 0.00 177.10 176.67 3blj s ASP 527 N -2.97 6.45 -1.60 -1.22 2.15 -1.26 -4.43 116.67 113.78 3blj s ASP 527 Ca 0.48 -1.54 -0.09 0.00 0.43 0.00 0.00 52.55 51.82 3blj s ASP 527 Cb -0.11 -2.44 0.08 0.00 -0.30 0.00 0.00 42.92 40.15 3blj s ASP 527 CO 0.28 -1.30 0.47 1.41 -0.17 0.00 0.00 175.17 175.86 3blj n HIS 528 N 7.46 -1.52 -2.96 -5.34 8.25 -1.26 -4.93 115.22 114.91 3blj n HIS 528 Ca 0.16 0.73 -0.26 0.00 -0.26 0.00 0.00 57.72 58.09 3blj n HIS 528 Cb 0.48 -3.02 -0.00 0.00 1.12 0.00 0.00 29.99 28.57 3blj n HIS 528 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3blj s LYS 529 N -6.96 3.46 -0.70 -0.41 -0.14 -1.26 -5.02 119.74 108.70 3blj s LYS 529 Ca 0.36 -0.08 -0.22 0.00 -1.36 0.00 0.00 55.97 54.66 3blj s LYS 529 Cb -0.20 -2.50 0.08 0.00 -1.68 0.00 0.00 37.83 33.52 3blj s LYS 529 CO 0.95 -0.08 1.00 1.21 -0.76 0.00 0.00 175.35 177.67 3blj s ASN 530 N -4.09 6.23 0.22 2.83 3.84 -1.26 -4.91 114.94 117.80 3blj s ASN 530 Ca 0.45 -1.11 0.23 0.00 0.21 0.00 0.00 52.86 52.63 3blj s ASN 530 Cb -0.10 -2.42 0.03 0.00 -0.55 0.00 0.00 41.25 38.21 3blj s ASN 530 CO 0.41 -1.41 1.09 0.78 -2.79 0.00 0.00 177.10 175.18 3blj h ASN 531 N 9.50 0.00 -3.88 -4.21 2.35 -1.95 -3.41 115.58 113.98 3blj h ASN 531 Ca -0.23 -0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.84 3blj h ASN 531 Cb 1.06 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.17 3blj h ASN 531 CO 1.18 0.00 -0.80 -0.70 -1.65 0.00 0.00 177.43 175.46 3blj s GLU 532 N -3.35 2.72 0.30 0.81 2.12 -1.26 -0.72 118.70 119.32 3blj s GLU 532 Ca 0.00 -0.75 0.10 0.00 0.36 0.00 0.00 54.97 54.69 3blj s GLU 532 Cb 0.09 -2.38 -0.06 0.00 0.26 0.00 0.00 34.13 32.05 3blj s GLU 532 CO 0.78 0.46 -0.15 1.03 -0.54 0.00 0.00 175.26 176.85 3blj s ARG 533 N -0.33 1.71 -0.25 4.30 0.52 -0.25 -4.94 118.95 119.71 3blj s ARG 533 Ca 0.02 -1.83 -0.06 0.00 -0.52 0.00 0.00 55.73 53.35 3blj s ARG 533 Cb -0.13 -1.67 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 3blj s ARG 533 CO 0.02 0.23 0.03 -1.17 0.02 0.00 0.00 175.30 174.43 3blj s LEU 534 N -3.53 3.32 0.31 2.53 2.96 -1.26 -0.75 118.68 122.26 3blj s LEU 534 Ca 0.31 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3blj s LEU 534 Cb -0.01 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3blj s LEU 534 CO 0.15 -0.07 0.14 -0.76 -1.32 0.00 0.00 176.35 174.49 3blj s LEU 535 N 1.52 1.71 0.10 -0.68 1.43 0.56 -4.91 118.68 118.42 3blj s LEU 535 Ca 0.05 -1.53 0.07 0.00 -1.03 0.00 0.00 54.13 51.70 3blj s LEU 535 Cb -0.15 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 3blj s LEU 535 CO 0.00 -0.85 -0.12 -0.36 0.23 0.00 0.00 176.35 175.25 3blj s PHE 536 N -3.59 2.69 -0.17 0.29 0.08 0.17 -0.30 117.98 117.15 3blj s PHE 536 Ca 0.35 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.17 3blj s PHE 536 Cb 0.05 -1.42 0.07 0.00 -0.57 0.00 0.00 43.02 41.16 3blj s PHE 536 CO 0.16 0.41 0.14 -1.58 -0.10 0.00 0.00 175.22 174.25 3blj s HIS 537 N -1.18 0.00 0.37 0.36 5.65 -0.73 -0.26 115.29 119.50 3blj s HIS 537 Ca 0.20 -0.06 -0.27 0.00 0.25 0.00 0.00 55.06 55.18 3blj s HIS 537 Cb -0.11 -0.55 -0.09 0.00 -1.18 0.00 0.00 32.58 30.65 3blj s HIS 537 CO 0.12 -0.52 1.18 0.20 -0.65 0.00 0.00 174.74 175.08 3blj s GLY 538 N 2.21 2.92 0.07 1.59 0.00 -1.26 0.01 107.32 112.87 3blj s GLY 538 Ca 0.04 1.01 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 3blj s GLY 538 CO -0.10 1.56 0.05 -1.08 0.00 0.00 0.00 173.10 173.53 3blj s THR 539 N -1.33 0.19 0.52 0.90 -1.32 -0.51 -4.46 115.64 109.63 3blj s THR 539 Ca 0.54 -1.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.25 3blj s THR 539 Cb -0.32 -1.48 -0.08 0.00 -1.51 0.00 0.00 72.50 69.11 3blj s THR 539 CO 0.42 -0.86 0.99 1.51 -2.21 0.00 0.00 174.62 174.46 3blj s ASP 540 N -2.90 6.62 0.49 8.08 -4.77 -1.25 -3.72 116.67 119.21 3blj s ASP 540 Ca 0.07 1.57 0.20 0.00 -3.30 0.00 0.00 52.55 51.08 3blj s ASP 540 Cb 0.07 -2.51 1.23 0.00 -1.09 0.00 0.00 42.92 40.62 3blj s ASP 540 CO -0.10 -0.59 1.98 0.00 0.70 0.00 0.00 175.17 177.16 3blj h ALA 541 N 0.89 2.28 0.00 2.11 0.00 -1.92 -1.80 119.26 120.82 3blj h ALA 541 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3blj h ALA 541 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3blj h ALA 541 CO 0.61 -0.43 0.00 -0.44 0.00 0.00 0.00 179.25 178.99 3blj h ASP 542 N 0.18 0.00 0.25 0.00 3.32 -1.97 -2.90 116.42 115.31 3blj h ASP 542 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3blj h ASP 542 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3blj h ASP 542 CO -0.04 0.00 -0.61 -1.20 -1.72 0.00 0.00 179.24 175.67 3blj n SER 543 N -2.95 0.91 0.18 6.45 7.64 -0.68 -4.55 113.62 120.62 3blj n SER 543 Ca 0.02 -0.72 -0.14 0.00 1.01 0.00 0.00 58.87 59.03 3blj n SER 543 Cb 0.34 0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.94 3blj n SER 543 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3blj h VAL 544 N 0.48 0.72 -0.63 0.44 2.07 -1.54 -0.57 116.25 117.22 3blj h VAL 544 Ca 0.00 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.46 3blj h VAL 544 Cb 0.53 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 3blj h VAL 544 CO 0.00 0.04 0.07 -0.65 0.02 0.00 0.00 177.57 177.05 3blj h PRO 545 N -0.51 0.17 -0.25 1.57 0.11 -1.80 -0.49 132.00 130.80 3blj h PRO 545 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3blj h PRO 545 Cb 0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3blj h PRO 545 CO 0.07 0.11 0.16 -0.92 -0.21 0.00 0.00 178.00 177.22 3blj h TYR 546 N 0.18 0.32 -0.30 0.65 3.20 -1.78 -2.73 116.97 116.52 3blj h TYR 546 Ca 0.34 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 3blj h TYR 546 Cb 0.54 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3blj h TYR 546 CO -0.32 0.22 0.05 0.28 -1.64 0.00 0.00 178.16 176.75 3blj h VAL 547 N 0.33 1.23 -0.99 1.81 2.07 -0.70 0.31 116.25 120.31 3blj h VAL 547 Ca 0.09 -0.79 0.14 0.00 0.82 0.00 0.00 66.70 66.96 3blj h VAL 547 Cb -0.02 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 3blj h VAL 547 CO -0.02 0.26 0.62 0.78 0.02 0.00 0.00 177.57 179.23 3blj h ASN 548 N 0.31 0.86 0.20 0.57 2.35 -1.09 0.29 115.58 119.08 3blj h ASN 548 Ca 0.09 0.06 -0.35 0.00 -0.55 0.00 0.00 56.30 55.54 3blj h ASN 548 Cb 0.33 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3blj h ASN 548 CO 0.00 0.43 -1.85 -0.61 -1.65 0.00 0.00 177.43 173.75 3blj h GLN 549 N 0.91 0.30 0.00 0.81 5.75 -1.27 -3.43 115.11 118.18 3blj h GLN 549 Ca 0.51 -0.51 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3blj h GLN 549 Cb 0.60 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.34 3blj h GLN 549 CO -0.28 1.20 0.00 0.72 -2.65 0.00 0.00 178.83 177.82 3blj n HIS 550 N -3.49 0.00 -4.16 3.99 8.25 0.11 -4.84 115.22 115.07 3blj n HIS 550 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3blj n HIS 550 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 3blj n HIS 550 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3blj n GLY 551 N 0.32 -0.94 3.64 -1.41 0.00 0.10 -4.83 105.19 102.07 3blj n GLY 551 Ca 0.00 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 3blj n GLY 551 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3blj s PHE 552 N 0.00 3.30 -0.28 1.61 0.08 -1.26 -4.22 117.98 117.21 3blj s PHE 552 Ca 0.00 0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.27 3blj s PHE 552 Cb 0.00 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 3blj s PHE 552 CO 0.00 -0.01 0.00 1.21 -0.10 0.00 0.00 175.22 176.33 3blj s ASN 553 N 1.24 4.74 0.56 1.36 3.84 -1.26 -4.78 114.94 120.64 3blj s ASN 553 Ca 0.09 -0.94 0.25 0.00 0.21 0.00 0.00 52.86 52.47 3blj s ASN 553 Cb -0.14 -1.75 1.61 0.00 -0.55 0.00 0.00 41.25 40.42 3blj s ASN 553 CO 0.07 -0.19 2.20 0.08 -2.79 0.00 0.00 177.10 176.46 3blj h ARG 554 N 8.08 0.00 0.00 0.43 0.11 -1.91 0.12 114.38 121.21 3blj h ARG 554 Ca -0.29 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.75 3blj h ARG 554 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 3blj h ARG 554 CO 0.57 0.03 -0.19 0.77 0.10 0.00 0.00 179.97 181.25 3blj h SER 555 N 0.00 0.00 -0.06 0.08 0.02 -1.94 -3.13 113.55 108.52 3blj h SER 555 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3blj h SER 555 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3blj h SER 555 CO 0.00 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 3blj s ALA 557 N -1.89 3.29 0.38 0.00 0.00 -1.08 -5.02 121.76 117.45 3blj s ALA 557 Ca 0.28 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 3blj s ALA 557 Cb 0.19 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3blj s ALA 557 CO 0.29 -0.20 0.74 0.20 0.00 0.00 0.00 175.76 176.78 3blj s GLY 558 N -1.10 1.96 0.31 0.00 0.00 -1.26 -5.04 107.32 102.18 3blj s GLY 558 Ca 0.49 -0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.70 3blj s GLY 558 CO 0.37 -0.06 0.97 0.28 0.00 0.00 0.00 173.10 174.66 3blj n LYS 559 N -1.18 1.26 -3.25 2.90 4.01 -1.26 -5.00 118.16 115.64 3blj n LYS 559 Ca 0.02 0.45 -0.32 0.00 -0.51 0.00 0.00 58.31 57.94 3blj n LYS 559 Cb 0.54 -1.82 -0.05 0.00 -0.51 0.00 0.00 35.03 33.19 3blj n LYS 559 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3blj s ASN 560 N -0.62 6.68 0.30 4.39 2.47 -1.26 -4.98 114.94 121.92 3blj s ASN 560 Ca 0.59 1.09 0.05 0.00 0.42 0.00 0.00 52.86 55.01 3blj s ASN 560 Cb -0.69 -2.29 0.75 0.00 -1.45 0.00 0.00 41.25 37.57 3blj s ASN 560 CO 0.59 -0.16 1.74 0.00 -3.72 0.00 0.00 177.10 175.55 3blj h ALA 561 N 2.29 1.58 -3.45 1.71 0.00 -2.03 -3.33 119.26 116.03 3blj h ALA 561 Ca -0.47 0.12 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 3blj h ALA 561 Cb 1.17 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.64 3blj h ALA 561 CO 0.67 -0.20 -0.77 0.08 0.00 0.00 0.00 179.25 179.03 3blj s VAL 562 N -5.86 2.55 -0.22 0.00 1.01 -1.26 -5.11 120.40 111.51 3blj s VAL 562 Ca -0.11 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 3blj s VAL 562 Cb 0.25 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3blj s VAL 562 CO 0.79 0.14 0.28 -0.55 0.00 0.00 0.00 175.10 175.76 3blj s SER 563 N 1.24 6.29 -0.12 3.32 0.15 -1.25 -4.92 113.70 118.40 3blj s SER 563 Ca -0.03 0.33 0.15 0.00 0.70 0.00 0.00 55.95 57.10 3blj s SER 563 Cb -0.18 -2.17 0.34 0.00 -1.71 0.00 0.00 66.02 62.31 3blj s SER 563 CO -0.05 -0.00 1.23 -1.22 1.20 0.00 0.00 173.24 174.40 3blj n TYR 564 N 4.33 0.36 0.00 3.44 4.01 -1.26 -2.77 117.16 125.28 3blj n TYR 564 Ca -0.12 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 3blj n TYR 564 Cb 0.52 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3blj n TYR 564 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3blj n GLY 565 N -0.85 3.66 3.36 2.72 0.00 -1.12 -1.85 105.19 111.11 3blj n GLY 565 Ca 0.16 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 3blj n GLY 565 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3blj n LYS 566 N -1.76 3.46 -0.33 1.61 5.02 0.10 -4.90 118.16 121.36 3blj n LYS 566 Ca 0.00 -3.93 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 3blj n LYS 566 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 3blj n LYS 566 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3blj n GLY 567 N 3.64 3.87 3.77 0.72 0.00 -1.26 -4.76 105.19 111.16 3blj n GLY 567 Ca 0.35 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3blj n GLY 567 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3blj s THR 568 N -2.10 5.35 -0.12 2.61 2.01 -0.05 -4.86 115.64 118.47 3blj s THR 568 Ca 0.00 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3blj s THR 568 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3blj s THR 568 CO 0.00 0.47 0.17 -0.31 -0.69 0.00 0.00 174.62 174.26 3blj s TYR 569 N -0.06 3.59 -0.03 4.92 1.51 -1.26 -1.40 117.35 124.62 3blj s TYR 569 Ca 0.15 0.56 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 3blj s TYR 569 Cb -0.13 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.73 3blj s TYR 569 CO 0.03 0.66 -0.03 -0.06 -1.11 0.00 0.00 175.55 175.05 3blj s PHE 570 N -0.83 0.57 -0.06 2.71 0.08 0.01 -4.77 117.98 115.69 3blj s PHE 570 Ca 0.15 -0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 3blj s PHE 570 Cb -0.12 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 3blj s PHE 570 CO 0.04 -0.15 0.10 0.00 -0.10 0.00 0.00 175.22 175.12 3blj s ALA 571 N 0.83 3.69 0.05 5.36 0.00 0.64 -1.05 121.76 131.29 3blj s ALA 571 Ca -0.10 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 3blj s ALA 571 Cb -0.13 -1.74 -0.13 0.00 0.00 0.00 0.00 23.12 21.12 3blj s ALA 571 CO -0.00 0.66 1.41 0.28 0.00 0.00 0.00 175.76 178.11 3blj h VAL 572 N 3.55 1.31 -3.39 0.00 2.07 -1.49 0.51 116.25 118.81 3blj h VAL 572 Ca -0.51 -1.13 -0.60 0.00 0.82 0.00 0.00 66.70 65.28 3blj h VAL 572 Cb 1.20 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 32.56 3blj h VAL 572 CO 0.61 0.34 -0.32 -1.81 0.02 0.00 0.00 177.57 176.41 3blj s ASP 573 N -6.01 6.38 0.36 0.57 1.01 -1.26 -4.73 116.67 112.99 3blj s ASP 573 Ca -0.14 0.44 0.14 0.00 0.71 0.00 0.00 52.55 53.71 3blj s ASP 573 Cb 0.06 -2.18 0.99 0.00 1.01 0.00 0.00 42.92 42.79 3blj s ASP 573 CO 0.74 0.04 1.77 0.00 0.21 0.00 0.00 175.17 177.93 3blj h ALA 574 N 7.02 2.03 -0.96 5.23 0.00 -1.84 -1.99 119.26 128.75 3blj h ALA 574 Ca -0.39 0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.80 3blj h ALA 574 Cb 1.16 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 3blj h ALA 574 CO 0.73 -0.44 0.54 0.66 0.00 0.00 0.00 179.25 180.74 3blj h SER 575 N 0.50 0.63 0.98 0.00 4.64 -1.86 0.37 113.55 118.82 3blj h SER 575 Ca 0.59 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.98 3blj h SER 575 Cb 1.31 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3blj h SER 575 CO -0.34 0.18 -0.47 0.22 -0.87 0.00 0.00 176.83 175.54 3blj h TYR 576 N 0.63 -1.23 -0.22 4.77 3.20 -1.74 -3.04 116.97 119.35 3blj h TYR 576 Ca 0.57 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.47 3blj h TYR 576 Cb 0.96 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 3blj h TYR 576 CO -0.04 -0.76 0.25 0.77 -1.64 0.00 0.00 178.16 176.73 3blj h SER 577 N -1.34 0.00 0.72 -2.11 0.02 -1.49 -2.04 113.55 107.31 3blj h SER 577 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3blj h SER 577 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3blj h SER 577 CO 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.91 3blj n ALA 578 N -2.33 2.08 -1.79 3.77 0.00 0.08 -2.93 120.51 119.39 3blj n ALA 578 Ca 0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3blj n ALA 578 Cb 0.38 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3blj n ALA 578 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3blj s LYS 579 N -2.91 4.15 0.48 0.00 1.02 -0.77 -4.72 119.74 116.98 3blj s LYS 579 Ca 0.13 2.53 0.32 0.00 0.02 0.00 0.00 55.97 58.97 3blj s LYS 579 Cb 0.15 -3.08 1.42 0.00 -0.52 0.00 0.00 37.83 35.80 3blj s LYS 579 CO 0.40 -0.67 1.72 -0.44 -0.92 0.00 0.00 175.35 175.45 3blj h ASP 580 N 6.13 0.19 -1.00 2.83 5.19 -1.89 0.23 116.42 128.10 3blj h ASP 580 Ca -0.44 0.06 0.12 0.00 -0.62 0.00 0.00 57.03 56.15 3blj h ASP 580 Cb 1.21 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 40.67 3blj h ASP 580 CO 0.89 -0.02 0.63 0.74 -3.12 0.00 0.00 179.24 178.36 3blj h THR 581 N 0.13 0.92 0.00 0.35 2.02 -1.94 -3.07 112.91 111.31 3blj h THR 581 Ca 0.69 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.49 3blj h THR 581 Cb 2.33 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3blj h THR 581 CO -0.19 0.18 -0.96 -1.22 0.37 0.00 0.00 175.52 173.69 3blj n TYR 582 N -4.62 0.34 -2.96 3.16 4.01 0.73 -4.67 117.16 113.15 3blj n TYR 582 Ca 0.19 0.15 -0.44 0.00 -0.16 0.00 0.00 57.90 57.64 3blj n TYR 582 Cb 0.36 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 3blj n TYR 582 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3blj n SER 583 N -4.49 5.45 -4.72 7.72 3.41 -0.67 -3.15 113.62 117.16 3blj n SER 583 Ca -0.15 -3.08 -0.42 0.00 -0.26 0.00 0.00 58.87 54.96 3blj n SER 583 Cb 0.47 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 3blj n SER 583 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3blj s LYS 584 N -0.05 4.19 0.10 4.33 2.20 -1.16 -4.48 119.74 124.87 3blj s LYS 584 Ca 0.37 2.43 -0.33 0.00 -0.36 0.00 0.00 55.97 58.09 3blj s LYS 584 Cb -0.02 -3.12 -0.12 0.00 -1.51 0.00 0.00 37.83 33.06 3blj s LYS 584 CO -0.01 -0.63 1.76 -2.30 -0.36 0.00 0.00 175.35 173.80 3blj n PRO 585 N 3.76 2.48 -1.16 4.03 -0.02 -1.26 -4.49 135.00 138.34 3blj n PRO 585 Ca 0.14 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 3blj n PRO 585 Cb 0.38 -2.74 0.24 0.00 -0.02 0.00 0.00 33.50 31.35 3blj n PRO 585 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3blj s ASP 586 N 2.28 1.07 0.00 2.55 1.47 0.19 -4.80 116.67 119.42 3blj s ASP 586 Ca 0.82 0.57 0.09 0.00 1.18 0.00 0.00 52.55 55.21 3blj s ASP 586 Cb -0.58 -0.77 0.40 0.00 -0.34 0.00 0.00 42.92 41.62 3blj s ASP 586 CO 0.40 -4.02 1.24 -1.54 0.68 0.00 0.00 175.17 171.92 3blj n SER 587 N -4.68 0.00 -1.07 2.11 3.41 -1.26 -0.92 113.62 111.20 3blj n SER 587 Ca 0.14 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3blj n SER 587 Cb 0.60 -0.43 0.20 0.00 -0.26 0.00 0.00 64.21 64.32 3blj n SER 587 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3blj n ASN 588 N -1.43 3.33 0.00 4.04 4.13 -1.26 -4.97 115.26 119.11 3blj n ASN 588 Ca 0.03 -1.96 0.00 0.00 1.68 0.00 0.00 54.58 54.33 3blj n ASN 588 Cb 0.09 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 3blj n ASN 588 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3blj n GLY 589 N 1.38 0.75 3.71 7.41 0.00 -0.09 -5.03 105.19 113.31 3blj n GLY 589 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3blj n GLY 589 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3blj s ARG 590 N -0.46 4.41 0.17 1.61 3.00 -1.26 -4.51 118.95 121.91 3blj s ARG 590 Ca 0.00 0.84 0.05 0.00 0.00 0.00 0.00 55.73 56.61 3blj s ARG 590 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 34.95 31.45 3blj s ARG 590 CO 0.00 0.03 0.16 0.15 0.00 0.00 0.00 175.30 175.64 3blj s LYS 591 N 0.93 2.98 -0.04 3.54 1.02 0.23 -0.64 119.74 127.75 3blj s LYS 591 Ca 0.36 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3blj s LYS 591 Cb -0.17 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3blj s LYS 591 CO 0.17 0.48 -0.06 -1.01 -0.92 0.00 0.00 175.35 174.01 3blj s HIS 592 N -1.78 0.79 -0.04 3.18 3.76 -1.26 -1.09 115.29 118.85 3blj s HIS 592 Ca 0.32 -0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 54.98 3blj s HIS 592 Cb -0.10 -0.65 0.02 0.00 1.11 0.00 0.00 32.58 32.96 3blj s HIS 592 CO 0.24 -0.16 0.10 1.41 -0.85 0.00 0.00 174.74 175.48 3blj s MET 593 N 0.68 0.07 0.24 1.40 0.00 -0.82 -1.43 119.30 119.44 3blj s MET 593 Ca -0.10 0.23 -0.08 0.00 0.00 0.00 0.00 55.69 55.75 3blj s MET 593 Cb -0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 34.83 34.54 3blj s MET 593 CO 0.01 -0.10 0.54 0.71 0.00 0.00 0.00 175.02 176.18 3blj s TYR 594 N 0.68 3.44 -0.22 4.11 2.02 0.10 0.06 117.35 127.54 3blj s TYR 594 Ca -0.05 0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 57.39 3blj s TYR 594 Cb -0.07 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 3blj s TYR 594 CO -0.03 0.25 -0.02 0.08 -1.57 0.00 0.00 175.55 174.26 3blj s VAL 595 N -1.89 3.61 -0.05 0.71 1.01 -0.07 -1.77 120.40 121.96 3blj s VAL 595 Ca 0.46 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3blj s VAL 595 Cb -0.11 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3blj s VAL 595 CO 0.24 0.41 -0.19 -0.69 0.00 0.00 0.00 175.10 174.87 3blj s VAL 596 N 1.47 1.57 -0.12 2.92 1.01 0.59 -0.25 120.40 127.58 3blj s VAL 596 Ca 0.06 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 3blj s VAL 596 Cb -0.14 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3blj s VAL 596 CO -0.01 0.45 0.94 -0.13 0.00 0.00 0.00 175.10 176.34 3blj s ARG 597 N 0.03 4.38 -0.05 2.72 0.52 -0.09 -0.32 118.95 126.14 3blj s ARG 597 Ca -0.05 1.25 0.05 0.00 -0.52 0.00 0.00 55.73 56.46 3blj s ARG 597 Cb -0.12 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 3blj s ARG 597 CO 0.03 -0.30 -0.18 0.08 0.02 0.00 0.00 175.30 174.94 3blj s VAL 598 N 2.00 1.54 -1.17 3.52 1.01 0.07 0.15 120.40 127.53 3blj s VAL 598 Ca 0.45 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 3blj s VAL 598 Cb -0.18 -1.32 0.18 0.00 0.00 0.00 0.00 36.38 35.07 3blj s VAL 598 CO 0.16 0.44 1.37 -0.76 0.00 0.00 0.00 175.10 176.31 3blj s LEU 599 N 0.00 5.20 0.33 3.92 1.43 -0.08 -1.09 118.68 128.38 3blj s LEU 599 Ca -0.04 -2.98 0.16 0.00 -1.03 0.00 0.00 54.13 50.24 3blj s LEU 599 Cb -0.12 -2.38 0.51 0.00 0.03 0.00 0.00 46.19 44.23 3blj s LEU 599 CO 0.02 -0.72 1.66 0.71 0.23 0.00 0.00 176.35 178.25 3blj h THR 600 N 4.66 1.08 0.00 5.49 1.35 -1.24 -3.43 112.91 120.82 3blj h THR 600 Ca 0.29 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3blj h THR 600 Cb 0.89 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3blj h THR 600 CO 1.20 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 177.56 3blj n GLY 601 N 0.35 3.15 3.75 5.82 0.00 -0.12 -3.38 105.19 114.76 3blj n GLY 601 Ca -0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3blj n GLY 601 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3blj s VAL 602 N 0.00 5.38 0.11 1.61 1.01 -1.26 -4.79 120.40 122.45 3blj s VAL 602 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3blj s VAL 602 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3blj s VAL 602 CO 0.00 0.45 -0.07 0.72 0.00 0.00 0.00 175.10 176.21 3blj s PHE 603 N 0.15 0.95 0.20 5.22 -0.12 -1.26 -1.10 117.98 122.03 3blj s PHE 603 Ca 0.12 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 3blj s PHE 603 Cb -0.12 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 3blj s PHE 603 CO 0.01 -0.13 0.08 -0.08 -0.05 0.00 0.00 175.22 175.06 3blj s THR 604 N -3.59 0.32 0.25 -4.49 -1.32 -1.21 -4.97 115.64 100.62 3blj s THR 604 Ca 0.13 -1.98 -0.30 0.00 -1.21 0.00 0.00 61.69 58.33 3blj s THR 604 Cb 0.05 -2.40 -0.10 0.00 -1.51 0.00 0.00 72.50 68.54 3blj s THR 604 CO -0.04 -0.16 1.50 -0.75 -2.21 0.00 0.00 174.62 172.96 3blj s LYS 605 N -4.06 4.22 0.28 7.08 2.20 -1.26 -0.57 119.74 127.63 3blj s LYS 605 Ca 0.33 2.39 -0.01 0.00 -0.36 0.00 0.00 55.97 58.32 3blj s LYS 605 Cb 0.07 -3.09 0.06 0.00 -1.51 0.00 0.00 37.83 33.36 3blj s LYS 605 CO 0.09 -0.50 0.39 0.41 -0.36 0.00 0.00 175.35 175.38 3blj n GLY 606 N 2.40 0.44 3.39 5.54 0.00 -0.41 -4.79 105.19 111.76 3blj n GLY 606 Ca 0.08 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 3blj n GLY 606 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3blj s ARG 607 N -3.49 0.80 0.45 1.61 1.70 -0.77 -4.87 118.95 114.38 3blj s ARG 607 Ca 0.25 0.19 0.27 0.00 -0.47 0.00 0.00 55.73 55.97 3blj s ARG 607 Cb -0.01 0.37 1.32 0.00 -0.57 0.00 0.00 34.95 36.06 3blj s ARG 607 CO 0.17 -0.21 1.74 0.00 -1.08 0.00 0.00 175.30 175.92 3blj h ALA 608 N 3.87 2.65 -0.00 7.88 0.00 -1.73 -1.52 119.26 130.40 3blj h ALA 608 Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3blj h ALA 608 Cb 1.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3blj h ALA 608 CO 0.35 -1.09 -0.07 0.41 0.00 0.00 0.00 179.25 178.85 3blj n GLY 609 N -1.59 -0.92 3.74 0.00 0.00 -1.26 -4.07 105.19 101.09 3blj n GLY 609 Ca 0.28 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3blj n GLY 609 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3blj s LEU 610 N -2.37 4.37 -0.07 0.99 1.43 -0.59 -4.80 118.68 117.65 3blj s LEU 610 Ca 0.33 2.76 0.12 0.00 -1.03 0.00 0.00 54.13 56.30 3blj s LEU 610 Cb 0.20 -3.62 -0.17 0.00 0.03 0.00 0.00 46.19 42.63 3blj s LEU 610 CO 0.44 -0.80 0.16 0.52 0.23 0.00 0.00 176.35 176.91 3blj n VAL 611 N 2.59 0.40 -4.25 -1.59 0.31 -1.26 0.03 118.33 114.57 3blj n VAL 611 Ca 0.09 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 63.87 3blj n VAL 611 Cb 0.39 -0.24 -0.10 0.00 -0.91 0.00 0.00 33.84 32.99 3blj n VAL 611 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3blj s THR 612 N -2.59 0.14 0.65 2.52 -4.23 -1.26 -4.88 115.64 105.99 3blj s THR 612 Ca -0.05 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 3blj s THR 612 Cb 0.06 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 3blj s THR 612 CO 0.51 0.00 1.10 -2.84 -0.54 0.00 0.00 174.62 172.85 3blj s PRO 613 N -3.98 2.90 0.77 3.99 0.02 -1.26 -4.99 135.00 132.45 3blj s PRO 613 Ca 0.38 1.35 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 3blj s PRO 613 Cb 0.06 -1.97 0.05 0.00 0.02 0.00 0.00 34.50 32.67 3blj s PRO 613 CO 0.15 -1.17 1.09 -1.25 -0.33 0.00 0.00 177.00 175.50 3blj s PRO 614 N -4.09 2.31 0.46 5.54 0.04 -1.26 -4.66 135.00 133.34 3blj s PRO 614 Ca 0.66 0.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.12 3blj s PRO 614 Cb -0.20 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3blj s PRO 614 CO 0.41 -1.46 1.19 -1.25 0.04 0.00 0.00 177.00 175.93 3blj s PRO 615 N -5.17 3.73 0.34 0.56 0.04 -1.26 -2.02 135.00 131.21 3blj s PRO 615 Ca 0.60 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.52 3blj s PRO 615 Cb -0.14 -2.43 0.64 0.00 0.04 0.00 0.00 34.50 32.61 3blj s PRO 615 CO 0.54 -0.60 1.97 0.87 0.04 0.00 0.00 177.00 179.82 3blj h LYS 616 N 2.07 0.85 -3.89 4.56 1.57 -1.40 -3.42 116.57 116.90 3blj h LYS 616 Ca -0.49 -0.05 -0.43 0.00 -1.87 0.00 0.00 60.65 57.81 3blj h LYS 616 Cb 1.25 -0.19 -0.36 0.00 0.08 0.00 0.00 32.23 33.01 3blj h LYS 616 CO 0.60 0.56 -0.77 1.21 -0.57 0.00 0.00 179.45 180.48 3blj s ASN 617 N -6.26 1.30 0.63 0.86 3.84 -1.26 -5.04 114.94 109.00 3blj s ASN 617 Ca -0.10 -0.12 0.39 0.00 0.21 0.00 0.00 52.86 53.23 3blj s ASN 617 Cb 0.19 -0.47 2.15 0.00 -0.55 0.00 0.00 41.25 42.57 3blj s ASN 617 CO 0.78 -0.12 2.31 1.55 -2.79 0.00 0.00 177.10 178.82 3blj h PRO 618 N 7.75 0.00 -0.07 0.43 0.13 -1.97 -1.36 132.00 136.90 3blj h PRO 618 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3blj h PRO 618 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3blj h PRO 618 CO 0.38 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 178.87 3blj n HIS 619 N -3.35 0.08 -3.51 1.56 8.25 -1.26 -4.12 115.22 112.86 3blj n HIS 619 Ca -0.03 -0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 3blj n HIS 619 Cb 0.09 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 3blj n HIS 619 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3blj n ASN 620 N 0.22 0.70 0.18 0.41 5.15 -0.51 -5.02 115.26 116.39 3blj n ASN 620 Ca 0.18 -2.67 0.14 0.00 -0.60 0.00 0.00 54.58 51.62 3blj n ASN 620 Cb 0.34 -0.62 0.62 0.00 -0.53 0.00 0.00 39.78 39.59 3blj n ASN 620 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3blj h PRO 621 N 5.35 0.00 0.00 1.20 0.11 -1.72 -2.78 132.00 134.17 3blj h PRO 621 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3blj h PRO 621 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3blj h PRO 621 CO 0.49 0.00 -1.15 0.25 -0.21 0.00 0.00 178.00 177.38 3blj n THR 622 N -2.48 0.27 -2.72 -1.15 -2.24 -1.26 -4.52 114.28 100.17 3blj n THR 622 Ca 0.01 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 3blj n THR 622 Cb 0.18 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 3blj n THR 622 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3blj s ASP 623 N -4.38 6.28 0.10 3.42 2.15 -1.05 -5.02 116.67 118.17 3blj s ASP 623 Ca 0.01 -0.43 0.04 0.00 0.43 0.00 0.00 52.55 52.60 3blj s ASP 623 Cb 0.13 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 3blj s ASP 623 CO 0.81 -1.47 0.08 -0.76 -0.17 0.00 0.00 175.17 173.65 3blj s LEU 624 N 4.61 3.75 0.77 -1.34 1.43 -1.26 -1.11 118.68 125.52 3blj s LEU 624 Ca 0.32 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 3blj s LEU 624 Cb -0.11 -2.42 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3blj s LEU 624 CO 0.17 0.15 1.05 0.49 0.23 0.00 0.00 176.35 178.45 3blj n PHE 625 N 0.31 0.86 0.05 0.29 3.72 -0.86 -4.75 117.46 117.08 3blj n PHE 625 Ca -0.09 0.39 -0.08 0.00 -0.05 0.00 0.00 57.45 57.62 3blj n PHE 625 Cb 0.52 -2.08 -0.13 0.00 -0.94 0.00 0.00 39.48 36.85 3blj n PHE 625 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3blj h ASP 626 N -0.59 0.04 -5.20 4.37 3.32 -1.34 -3.43 116.42 113.58 3blj h ASP 626 Ca -0.47 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 3blj h ASP 626 Cb 1.32 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 3blj h ASP 626 CO 0.46 1.04 0.08 -0.94 -1.72 0.00 0.00 179.24 178.15 3blj s SER 627 N -6.62 0.31 0.18 6.45 1.04 -1.21 -4.76 113.70 109.09 3blj s SER 627 Ca -0.01 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.26 3blj s SER 627 Cb 0.09 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.93 3blj s SER 627 CO 0.83 -1.50 -0.11 0.68 0.98 0.00 0.00 173.24 174.13 3blj s VAL 628 N -2.78 1.37 0.28 5.02 -7.23 -1.00 -3.31 120.40 112.75 3blj s VAL 628 Ca 0.21 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3blj s VAL 628 Cb -0.03 -1.98 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 3blj s VAL 628 CO 0.14 -0.64 0.08 0.28 -0.31 0.00 0.00 175.10 174.66 3blj s THR 629 N -3.20 0.76 0.26 5.32 -1.32 0.26 -1.04 115.64 116.68 3blj s THR 629 Ca 0.20 -2.00 0.18 0.00 -1.21 0.00 0.00 61.69 58.86 3blj s THR 629 Cb 0.02 -2.69 0.14 0.00 -1.51 0.00 0.00 72.50 68.46 3blj s THR 629 CO 0.04 0.00 1.80 -0.55 -2.21 0.00 0.00 174.62 173.70 3blj h ASN 630 N 2.30 0.00 -0.58 8.08 -1.07 -1.86 -1.09 115.58 121.35 3blj h ASN 630 Ca -0.39 0.00 0.21 0.00 0.07 0.00 0.00 56.30 56.19 3blj h ASN 630 Cb 1.25 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.26 3blj h ASN 630 CO 0.64 0.35 0.28 0.21 0.07 0.00 0.00 177.43 178.97 3blj s ASN 631 N -6.53 -0.41 0.22 6.14 3.84 -1.26 -4.84 114.94 112.09 3blj s ASN 631 Ca -0.01 0.47 0.11 0.00 0.21 0.00 0.00 52.86 53.63 3blj s ASN 631 Cb 0.12 1.43 0.11 0.00 -0.55 0.00 0.00 41.25 42.37 3blj s ASN 631 CO 0.68 -0.08 1.46 0.71 -2.79 0.00 0.00 177.10 177.09 3blj h THR 632 N 5.34 1.40 0.23 -5.21 1.35 -1.91 -1.45 112.91 112.65 3blj h THR 632 Ca -0.14 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 3blj h THR 632 Cb 1.14 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 70.00 3blj h THR 632 CO 0.03 0.71 -0.22 0.03 -0.25 0.00 0.00 175.52 175.83 3blj h ARG 633 N 0.00 -0.46 -2.61 4.72 -0.00 -2.01 -3.39 114.38 110.64 3blj h ARG 633 Ca -0.01 0.03 -0.60 0.00 -0.50 0.00 0.00 59.98 58.90 3blj h ARG 633 Cb 1.40 0.10 -0.40 0.00 0.00 0.00 0.00 29.97 31.07 3blj h ARG 633 CO 0.09 -0.30 -0.79 0.43 0.00 0.00 0.00 179.97 179.40 3blj n SER 634 N -5.34 1.38 -4.71 7.04 7.64 -1.19 -5.11 113.62 113.34 3blj n SER 634 Ca -0.08 -2.84 -0.42 0.00 1.01 0.00 0.00 58.87 56.54 3blj n SER 634 Cb 0.25 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3blj n SER 634 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3blj s PRO 635 N -0.90 4.25 -0.00 1.43 0.02 -0.55 -4.63 135.00 134.62 3blj s PRO 635 Ca 0.31 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.61 3blj s PRO 635 Cb 0.03 -3.35 -0.08 0.00 0.02 0.00 0.00 34.50 31.12 3blj s PRO 635 CO -0.16 -0.59 0.19 1.63 -0.33 0.00 0.00 177.00 177.74 3blj n LYS 636 N 4.55 2.22 -3.84 5.54 4.76 -1.26 -4.85 118.16 125.29 3blj n LYS 636 Ca 0.14 -0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 3blj n LYS 636 Cb 0.41 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.51 3blj n LYS 636 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3blj s LEU 637 N -2.95 1.33 0.02 -0.35 1.43 -1.26 -1.23 118.68 115.67 3blj s LEU 637 Ca -0.00 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3blj s LEU 637 Cb 0.04 0.94 -0.02 0.00 0.03 0.00 0.00 46.19 47.18 3blj s LEU 637 CO 0.26 -0.49 -0.09 -0.36 0.23 0.00 0.00 176.35 175.90 3blj s PHE 638 N -2.05 0.78 -0.12 0.29 0.08 -0.21 -3.23 117.98 113.52 3blj s PHE 638 Ca -0.09 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3blj s PHE 638 Cb -0.03 -0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 3blj s PHE 638 CO -0.01 -0.02 -0.13 0.08 -0.10 0.00 0.00 175.22 175.04 3blj s VAL 639 N -0.79 3.07 0.09 -0.44 1.01 -0.21 -0.81 120.40 122.32 3blj s VAL 639 Ca -0.02 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3blj s VAL 639 Cb -0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3blj s VAL 639 CO 0.00 0.53 -0.21 0.68 0.00 0.00 0.00 175.10 176.10 3blj s VAL 640 N 0.20 2.59 0.00 2.92 -7.23 -0.49 -2.37 120.40 116.01 3blj s VAL 640 Ca -0.08 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3blj s VAL 640 Cb -0.15 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.66 3blj s VAL 640 CO 0.05 0.21 0.79 0.49 -0.31 0.00 0.00 175.10 176.32 3blj n PHE 641 N 1.19 0.00 -4.08 2.82 3.72 -1.26 -0.87 117.46 118.97 3blj n PHE 641 Ca -0.16 -0.30 -0.12 0.00 -0.05 0.00 0.00 57.45 56.81 3blj n PHE 641 Cb 0.52 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 3blj n PHE 641 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3blj s PHE 642 N -0.60 0.68 0.71 1.38 0.08 -1.26 -4.92 117.98 114.04 3blj s PHE 642 Ca 0.00 -0.60 -0.13 0.00 0.12 0.00 0.00 56.93 56.31 3blj s PHE 642 Cb 0.00 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 3blj s PHE 642 CO 0.00 -0.11 1.11 -0.51 -0.10 0.00 0.00 175.22 175.60 3blj s ASP 643 N -1.91 4.82 -1.82 1.36 1.01 -1.26 -3.41 116.67 115.47 3blj s ASP 643 Ca -0.06 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.16 3blj s ASP 643 Cb -0.06 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3blj s ASP 643 CO -0.01 -1.82 0.00 0.59 0.21 0.00 0.00 175.17 174.14 3blj n ASN 644 N -2.84 -4.74 -0.68 0.27 5.03 -1.26 -4.79 115.26 106.25 3blj n ASN 644 Ca 0.10 0.42 0.12 0.00 0.87 0.00 0.00 54.58 56.10 3blj n ASN 644 Cb 0.52 -4.19 0.36 0.00 -1.02 0.00 0.00 39.78 35.45 3blj n ASN 644 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3blj n GLN 645 N -2.05 1.91 -3.69 3.52 7.27 -1.22 -4.21 117.38 118.91 3blj n GLN 645 Ca -0.17 -1.35 -0.14 0.00 0.07 0.00 0.00 57.00 55.41 3blj n GLN 645 Cb 0.58 -1.45 -0.14 0.00 2.41 0.00 0.00 30.24 31.64 3blj n GLN 645 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3blj s ALA 646 N -1.87 -0.47 -0.27 1.69 0.00 -1.26 -0.90 121.76 118.68 3blj s ALA 646 Ca 0.34 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3blj s ALA 646 Cb 0.20 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3blj s ALA 646 CO 0.30 -0.46 0.13 -0.47 0.00 0.00 0.00 175.76 175.26 3blj s TYR 647 N 1.95 3.15 -0.50 0.00 5.04 0.12 -4.68 117.35 122.43 3blj s TYR 647 Ca -0.02 -0.23 -0.28 0.00 -2.44 0.00 0.00 57.07 54.10 3blj s TYR 647 Cb -0.11 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.89 3blj s TYR 647 CO -0.08 -0.29 1.57 -1.25 -1.34 0.00 0.00 175.55 174.16 3blj s PRO 648 N 1.67 3.23 -0.13 4.97 0.04 -1.26 -0.92 135.00 142.60 3blj s PRO 648 Ca 0.06 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 3blj s PRO 648 Cb -0.16 -4.17 -0.24 0.00 0.04 0.00 0.00 34.50 29.97 3blj s PRO 648 CO 0.07 -2.01 0.33 -1.91 0.04 0.00 0.00 177.00 173.52 3blj n GLU 649 N 8.62 0.72 -4.04 4.56 2.13 0.65 -4.60 120.64 128.67 3blj n GLU 649 Ca 0.17 0.24 -0.11 0.00 0.66 0.00 0.00 57.16 58.12 3blj n GLU 649 Cb 0.49 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.40 3blj n GLU 649 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3blj s TYR 650 N -2.56 0.52 -0.13 4.31 2.02 -0.87 -0.62 117.35 120.02 3blj s TYR 650 Ca -0.20 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 55.91 3blj s TYR 650 Cb 0.07 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3blj s TYR 650 CO 0.76 -0.16 -0.21 -1.17 -1.57 0.00 0.00 175.55 173.20 3blj s LEU 651 N -1.81 2.18 -0.25 -1.29 2.96 0.40 -0.89 118.68 119.98 3blj s LEU 651 Ca -0.08 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3blj s LEU 651 Cb -0.07 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 3blj s LEU 651 CO -0.02 0.10 0.16 -0.63 -1.32 0.00 0.00 176.35 174.65 3blj s ILE 652 N 0.69 5.31 -0.19 6.68 1.01 0.11 -1.17 121.20 133.63 3blj s ILE 652 Ca -0.10 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 3blj s ILE 652 Cb -0.16 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 3blj s ILE 652 CO 0.01 0.32 0.22 -0.89 0.00 0.00 0.00 174.94 174.60 3blj s THR 653 N 1.24 5.34 0.23 2.92 2.01 -0.02 -1.95 115.64 125.42 3blj s THR 653 Ca 0.07 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.35 3blj s THR 653 Cb -0.14 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3blj s THR 653 CO 0.06 0.38 0.36 0.72 -0.69 0.00 0.00 174.62 175.46 3blj s PHE 654 N 0.63 0.66 0.21 4.92 -0.12 -0.25 -0.49 117.98 123.53 3blj s PHE 654 Ca 0.12 -0.97 -0.10 0.00 -0.05 0.00 0.00 56.93 55.93 3blj s PHE 654 Cb -0.13 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 3blj s PHE 654 CO 0.02 -0.88 0.36 -0.08 -0.05 0.00 0.00 175.22 174.60 3blj s THR 655 N -4.03 0.02 -2.00 -4.49 -1.32 -0.42 0.74 115.64 104.15 3blj s THR 655 Ca 0.28 -1.45 0.17 0.00 -1.21 0.00 0.00 61.69 59.48 3blj s THR 655 Cb 0.02 -2.08 0.47 0.00 -1.51 0.00 0.00 72.50 69.40 3blj s THR 655 CO 0.10 -0.11 1.40 0.00 -2.21 0.00 0.00 174.62 173.80