#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3blj s PRO 461 N 0.00 1.24 0.10 3.23 0.02 -1.26 -4.93 135.00 133.40 3blj s PRO 461 Ca 0.00 1.60 -0.13 0.00 0.02 0.00 0.00 61.00 62.49 3blj s PRO 461 Cb 0.00 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.64 3blj s PRO 461 CO 0.00 -2.48 1.34 0.93 -0.33 0.00 0.00 177.00 176.46 3blj h GLU 462 N -1.57 0.80 0.00 5.54 3.07 -2.08 -3.05 114.58 117.29 3blj h GLU 462 Ca -0.44 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 57.83 3blj h GLU 462 Cb 1.27 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3blj h GLU 462 CO 0.43 1.21 0.00 -2.39 -1.40 0.00 0.00 179.01 176.86 3blj n HIS 463 N -4.00 0.10 -1.98 4.33 1.44 -1.26 -4.63 115.22 109.22 3blj n HIS 463 Ca -0.06 0.04 -0.39 0.00 -2.01 0.00 0.00 57.72 55.30 3blj n HIS 463 Cb 0.68 -0.56 0.01 0.00 0.12 0.00 0.00 29.99 30.24 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 -3.04 2.64 0.30 -1.40 0.52 -1.16 -5.03 118.94 111.77 3blj s TRP 464 Ca 0.05 1.40 0.06 0.00 0.02 0.00 0.00 56.10 57.63 3blj s TRP 464 Cb 0.08 -3.70 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 3blj s TRP 464 CO 0.23 -2.33 0.43 0.95 0.02 0.00 0.00 176.95 176.25 3blj s THR 465 N -1.31 4.50 0.20 2.01 -4.23 -1.26 -5.03 115.64 110.53 3blj s THR 465 Ca 0.62 -1.00 -0.32 0.00 -1.18 0.00 0.00 61.69 59.81 3blj s THR 465 Cb -0.38 -3.57 -0.14 0.00 1.34 0.00 0.00 72.50 69.75 3blj s THR 465 CO 0.48 -0.22 1.35 -0.67 -0.54 0.00 0.00 174.62 175.02 3blj n ASP 466 N -1.55 2.32 -1.15 3.99 2.03 -1.26 -4.91 116.55 116.02 3blj n ASP 466 Ca -0.03 1.13 0.11 0.00 0.52 0.00 0.00 54.79 56.52 3blj n ASP 466 Cb 0.58 -1.35 0.24 0.00 -0.72 0.00 0.00 41.12 39.86 3blj n ASP 466 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3blj n MET 467 N 2.15 2.54 -4.09 -0.67 2.81 -1.26 -4.95 117.12 113.65 3blj n MET 467 Ca 0.14 -2.35 -0.33 0.00 -1.81 0.00 0.00 57.70 53.34 3blj n MET 467 Cb 0.28 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.43 -3.85 0.00 7.83 3.02 -1.26 -0.44 115.26 121.99 3blj n ASN 468 Ca 0.20 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3blj n ASN 468 Cb 0.58 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 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 -4.51 0.00 -1.53 3.10 8.25 -1.26 -5.02 115.22 114.25 3blj n HIS 469 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 3blj n HIS 469 Cb 0.51 -1.08 0.06 0.00 1.12 0.00 0.00 29.99 30.60 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 -0.99 2.77 -0.01 -0.41 -1.52 0.42 -5.01 119.66 114.91 3blj s GLN 470 Ca 0.00 1.05 0.17 0.00 -1.95 0.00 0.00 55.36 54.64 3blj s GLN 470 Cb 0.00 -1.97 -0.22 0.00 -0.22 0.00 0.00 33.01 30.60 3blj s GLN 470 CO 0.00 -1.24 0.57 1.28 -0.25 0.00 0.00 175.29 175.65 3blj n LEU 471 N -3.12 0.44 -3.79 2.90 4.77 -1.26 -4.84 117.00 112.11 3blj n LEU 471 Ca 0.08 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.64 3blj n LEU 471 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.46 3blj n LEU 471 CO 0.54 0.11 -0.35 0.12 -1.33 0.00 0.00 177.39 176.48 3blj s PHE 472 N -2.88 0.06 0.11 -1.77 5.36 -1.26 -0.68 117.98 116.92 3blj s PHE 472 Ca 0.01 0.10 -0.18 0.00 -0.96 0.00 0.00 56.93 55.90 3blj s PHE 472 Cb 0.12 -0.23 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 3blj s PHE 472 CO 0.71 -0.08 0.45 0.00 -1.46 0.00 0.00 175.22 174.84 3blj s MET 474 N -3.38 3.94 -0.25 0.00 -1.94 -1.26 -1.01 119.30 115.40 3blj s MET 474 Ca 0.00 -0.34 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 3blj s MET 474 Cb 0.01 -3.41 0.05 0.00 2.01 0.00 0.00 34.83 33.48 3blj s MET 474 CO -0.09 0.04 -0.09 0.08 -0.01 0.00 0.00 175.02 174.95 3blj s VAL 475 N 1.07 2.46 0.08 -6.03 1.01 -0.55 -4.97 120.40 113.47 3blj s VAL 475 Ca 0.06 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.37 3blj s VAL 475 Cb -0.14 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 3blj s VAL 475 CO 0.04 0.08 1.72 -1.58 0.00 0.00 0.00 175.10 175.37 3blj s GLN 476 N 1.20 4.17 0.54 2.72 0.74 -1.26 -0.78 119.66 127.00 3blj s GLN 476 Ca -0.04 2.42 -0.19 0.00 0.05 0.00 0.00 55.36 57.60 3blj s GLN 476 Cb -0.18 -3.64 -0.06 0.00 1.10 0.00 0.00 33.01 30.23 3blj s GLN 476 CO -0.05 -0.78 1.08 -0.51 -0.55 0.00 0.00 175.29 174.48 3blj s LEU 477 N 2.81 3.71 -0.29 3.68 1.43 0.71 -4.93 118.68 125.80 3blj s LEU 477 Ca 0.77 2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 55.66 3blj s LEU 477 Cb -0.42 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.23 3blj s LEU 477 CO 0.34 -1.10 0.70 -0.70 0.23 0.00 0.00 176.35 175.82 3blj s GLU 478 N -3.48 4.00 0.56 1.70 2.56 -1.26 -4.76 118.70 118.02 3blj s GLU 478 Ca 0.69 0.51 -0.19 0.00 0.00 0.00 0.00 54.97 55.97 3blj s GLU 478 Cb -0.20 -3.70 -0.07 0.00 2.00 0.00 0.00 34.13 32.16 3blj s GLU 478 CO 0.28 -0.56 0.83 -2.30 -0.56 0.00 0.00 175.26 172.94 3blj n PRO 479 N 5.95 0.83 -0.66 4.30 -0.02 -1.26 -3.06 135.00 141.09 3blj n PRO 479 Ca 0.01 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3blj n PRO 479 Cb 0.48 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3blj n PRO 479 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3blj n GLY 480 N 1.44 1.40 4.00 -1.23 0.00 -1.26 -5.00 105.19 104.54 3blj n GLY 480 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3blj n GLY 480 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3blj s GLN 481 N -0.09 2.85 0.20 1.61 -0.21 -1.17 -4.92 119.66 117.93 3blj s GLN 481 Ca 0.00 -1.11 -0.10 0.00 0.02 0.00 0.00 55.36 54.17 3blj s GLN 481 Cb 0.00 -2.73 0.13 0.00 1.00 0.00 0.00 33.01 31.41 3blj s GLN 481 CO 0.00 -0.27 1.80 1.03 -2.12 0.00 0.00 175.29 175.73 3blj h SER 482 N 0.60 0.91 0.08 5.90 0.87 -1.94 -1.46 113.55 118.50 3blj h SER 482 Ca -0.42 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.03 3blj h SER 482 Cb 1.28 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3blj h SER 482 CO 0.48 0.77 -0.04 -0.08 -0.53 0.00 0.00 176.83 177.43 3blj h GLU 483 N 0.99 -0.10 -0.69 2.24 4.81 -1.95 -1.09 114.58 118.79 3blj h GLU 483 Ca 0.25 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3blj h GLU 483 Cb 0.07 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3blj h GLU 483 CO -0.04 0.03 0.45 -0.92 -0.73 0.00 0.00 179.01 177.81 3blj h TYR 484 N -0.20 0.86 -0.53 0.92 3.20 -1.75 -2.47 116.97 117.00 3blj h TYR 484 Ca -0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3blj h TYR 484 Cb 0.17 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3blj h TYR 484 CO -0.04 0.53 0.14 -0.91 -1.64 0.00 0.00 178.16 176.24 3blj h ASN 485 N 0.92 0.79 -0.20 -2.11 -0.26 -1.10 0.83 115.58 114.45 3blj h ASN 485 Ca 0.26 -0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.79 3blj h ASN 485 Cb -0.08 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 3blj h ASN 485 CO -0.07 0.80 0.09 0.74 -1.06 0.00 0.00 177.43 177.93 3blj h THR 486 N 0.73 0.98 -0.03 2.81 2.02 -1.01 -0.14 112.91 118.27 3blj h THR 486 Ca 0.17 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3blj h THR 486 Cb 0.31 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3blj h THR 486 CO -0.00 0.04 -0.04 0.40 0.37 0.00 0.00 175.52 176.28 3blj h ILE 487 N 0.19 1.41 -0.86 3.11 1.08 -1.33 -2.89 117.51 118.23 3blj h ILE 487 Ca 0.08 -1.28 0.17 0.00 -0.39 0.00 0.00 64.86 63.44 3blj h ILE 487 Cb 0.03 2.20 -0.10 0.00 -3.07 0.00 0.00 36.82 35.88 3blj h ILE 487 CO -0.07 0.34 0.41 0.50 -0.69 0.00 0.00 178.15 178.64 3blj h LYS 488 N -0.42 0.52 -0.74 2.37 3.64 -0.84 -1.31 116.57 119.80 3blj h LYS 488 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3blj h LYS 488 Cb 0.58 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3blj h LYS 488 CO 0.01 0.34 0.48 -0.44 -2.27 0.00 0.00 179.45 177.57 3blj h ASP 489 N 0.53 0.86 -0.47 4.20 3.32 -0.99 0.47 116.42 124.34 3blj h ASP 489 Ca 0.49 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3blj h ASP 489 Cb 0.79 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3blj h ASP 489 CO -0.42 0.63 0.10 0.11 -1.72 0.00 0.00 179.24 177.94 3blj h LYS 490 N 1.01 0.77 0.37 3.56 1.57 -1.03 -1.76 116.57 121.06 3blj h LYS 490 Ca 0.27 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3blj h LYS 490 Cb -0.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3blj h LYS 490 CO -0.06 0.77 -0.18 0.35 -0.57 0.00 0.00 179.45 179.76 3blj h PHE 491 N 0.64 -0.47 0.00 -1.35 3.57 -1.25 -3.30 116.94 114.79 3blj h PHE 491 Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3blj h PHE 491 Cb 0.36 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3blj h PHE 491 CO 0.02 -0.15 -0.15 1.79 -2.23 0.00 0.00 178.31 177.59 3blj h THR 492 N -0.78 0.65 -0.96 4.41 1.35 -0.91 -0.00 112.91 116.66 3blj h THR 492 Ca -0.05 -0.63 0.28 0.00 -0.55 0.00 0.00 66.41 65.46 3blj h THR 492 Cb 0.52 1.40 -0.18 0.00 -1.73 0.00 0.00 68.15 68.16 3blj h THR 492 CO 0.08 0.15 0.09 -1.14 -0.25 0.00 0.00 175.52 174.45 3blj n ARG 493 N -3.70 -0.07 0.00 4.72 3.00 -0.66 -2.68 116.66 117.26 3blj n ARG 493 Ca -0.02 1.42 0.01 0.00 -0.00 0.00 0.00 57.85 59.26 3blj n ARG 493 Cb 0.26 -2.30 -0.01 0.00 0.00 0.00 0.00 32.46 30.42 3blj n ARG 493 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3blj n THR 494 N -5.39 0.00 -2.41 5.15 -2.24 -0.76 -4.80 114.28 103.83 3blj n THR 494 Ca 0.25 -0.47 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 3blj n THR 494 Cb 0.81 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 70.06 3blj n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3blj n SER 496 N -0.53 0.25 -0.13 0.00 3.41 -1.09 -1.85 113.62 113.67 3blj n SER 496 Ca 0.30 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.63 3blj n SER 496 Cb 0.83 -0.63 0.35 0.00 -0.26 0.00 0.00 64.21 64.50 3blj n SER 496 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3blj n SER 497 N -1.81 0.75 -4.89 4.04 3.41 -1.26 -4.86 113.62 109.00 3blj n SER 497 Ca 0.01 -0.58 -0.33 0.00 -0.26 0.00 0.00 58.87 57.70 3blj n SER 497 Cb 0.08 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.71 3.53 -0.18 7.33 2.02 -0.77 -4.87 117.35 121.70 3blj s TYR 498 Ca 0.19 0.59 -0.13 0.00 -0.37 0.00 0.00 57.07 57.35 3blj s TYR 498 Cb 0.19 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 3blj s TYR 498 CO 0.59 0.52 0.26 0.00 -1.57 0.00 0.00 175.55 175.36 3blj s ALA 499 N -1.47 3.60 -0.22 3.71 0.00 -0.02 -4.91 121.76 122.45 3blj s ALA 499 Ca 0.34 -0.55 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 3blj s ALA 499 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3blj s ALA 499 CO 0.21 0.02 0.95 0.42 0.00 0.00 0.00 175.76 177.35 3blj s ILE 500 N 0.63 4.76 -0.02 0.00 1.01 -1.26 -0.68 121.20 125.64 3blj s ILE 500 Ca 0.14 1.84 -0.19 0.00 0.00 0.00 0.00 60.65 62.44 3blj s ILE 500 Cb -0.13 -4.23 -0.33 0.00 0.01 0.00 0.00 42.46 37.78 3blj s ILE 500 CO 0.03 -0.11 0.93 -0.33 0.00 0.00 0.00 174.94 175.47 3blj h GLU 501 N 7.48 0.40 -2.10 2.79 5.08 -1.10 -3.49 114.58 123.65 3blj h GLU 501 Ca -0.22 -0.68 0.15 0.00 -1.00 0.00 0.00 59.36 57.61 3blj h GLU 501 Cb 1.08 0.25 -0.15 0.00 0.50 0.00 0.00 28.75 30.44 3blj h GLU 501 CO 0.92 1.33 0.57 -1.59 -1.00 0.00 0.00 179.01 179.24 3blj s LYS 502 N -2.50 0.74 -0.03 2.33 -2.85 -1.14 -5.03 119.74 111.26 3blj s LYS 502 Ca -0.12 -0.30 0.04 0.00 -1.00 0.00 0.00 55.97 54.59 3blj s LYS 502 Cb 0.02 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 36.12 3blj s LYS 502 CO 0.88 -0.33 -0.13 0.42 0.10 0.00 0.00 175.35 176.29 3blj s ILE 503 N -2.98 1.10 -0.07 3.79 1.01 -1.26 -1.77 121.20 121.02 3blj s ILE 503 Ca 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.21 3blj s ILE 503 Cb -0.01 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3blj s ILE 503 CO -0.07 0.33 -0.20 -1.61 0.00 0.00 0.00 174.94 173.39 3blj s GLU 504 N 0.06 2.38 -0.03 2.79 2.02 0.03 -0.21 118.70 125.74 3blj s GLU 504 Ca -0.02 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3blj s GLU 504 Cb -0.09 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 3blj s GLU 504 CO 0.01 0.19 1.13 0.50 0.02 0.00 0.00 175.26 177.12 3blj s ARG 505 N 0.26 4.41 -0.31 1.61 3.52 0.04 0.50 118.95 128.99 3blj s ARG 505 Ca -0.12 1.61 -0.20 0.00 -0.13 0.00 0.00 55.73 56.89 3blj s ARG 505 Cb -0.15 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3blj s ARG 505 CO 0.05 -0.32 0.62 0.42 -0.81 0.00 0.00 175.30 175.27 3blj s ILE 506 N 1.72 4.94 -0.64 4.11 1.01 0.34 -1.48 121.20 131.21 3blj s ILE 506 Ca 0.55 0.83 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 3blj s ILE 506 Cb -0.24 -4.00 0.17 0.00 0.01 0.00 0.00 42.46 38.40 3blj s ILE 506 CO 0.24 -0.14 0.47 -1.10 0.00 0.00 0.00 174.94 174.41 3blj s GLN 507 N 2.60 2.68 -0.35 2.79 -0.21 -0.18 -4.81 119.66 122.18 3blj s GLN 507 Ca 0.25 -2.46 0.01 0.00 0.02 0.00 0.00 55.36 53.18 3blj s GLN 507 Cb -0.15 -3.82 0.09 0.00 1.00 0.00 0.00 33.01 30.13 3blj s GLN 507 CO 0.12 -1.19 0.08 1.21 -2.12 0.00 0.00 175.29 173.39 3blj s ASN 508 N 1.01 4.91 0.19 5.90 3.84 -1.26 -1.69 114.94 127.83 3blj s ASN 508 Ca 0.16 -1.95 -0.12 0.00 0.21 0.00 0.00 52.86 51.17 3blj s ASN 508 Cb -0.19 -1.69 0.11 0.00 -0.55 0.00 0.00 41.25 38.92 3blj s ASN 508 CO -0.04 -0.40 1.81 0.00 -2.79 0.00 0.00 177.10 175.68 3blj h ALA 509 N 7.81 0.84 -0.11 1.71 0.00 -1.27 -1.33 119.26 126.91 3blj h ALA 509 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3blj h ALA 509 Cb 1.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3blj h ALA 509 CO 0.57 0.34 -0.01 0.74 0.00 0.00 0.00 179.25 180.89 3blj h PHE 510 N 0.90 0.23 -0.91 0.00 0.04 -1.94 -0.08 116.94 115.17 3blj h PHE 510 Ca 0.23 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3blj h PHE 510 Cb 0.02 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 3blj h PHE 510 CO -0.01 0.48 0.50 -0.07 -0.60 0.00 0.00 178.31 178.62 3blj h LEU 511 N -0.10 1.13 -0.21 1.54 3.38 -1.88 -2.21 115.31 116.96 3blj h LEU 511 Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3blj h LEU 511 Cb 0.40 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3blj h LEU 511 CO 0.01 0.90 0.12 -0.25 0.09 0.00 0.00 178.44 179.31 3blj h TRP 512 N 1.26 0.29 -0.57 1.13 2.91 -1.04 -1.02 115.95 118.92 3blj h TRP 512 Ca 0.32 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.37 3blj h TRP 512 Cb 0.01 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.53 3blj h TRP 512 CO 0.01 0.25 0.33 1.96 -1.03 0.00 0.00 178.44 179.96 3blj h GLN 513 N 0.24 0.63 -0.16 2.65 4.20 -0.73 0.13 115.11 122.08 3blj h GLN 513 Ca 0.08 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3blj h GLN 513 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3blj h GLN 513 CO -0.01 0.42 -0.41 0.77 -0.67 0.00 0.00 178.83 178.92 3blj h SER 514 N 0.65 0.39 -0.27 1.46 0.02 -1.30 -2.06 113.55 112.44 3blj h SER 514 Ca 0.23 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3blj h SER 514 Cb 0.05 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3blj h SER 514 CO -0.11 0.76 -0.10 0.22 -1.14 0.00 0.00 176.83 176.45 3blj h TYR 515 N 0.30 0.63 -0.34 3.45 3.20 -0.52 -2.55 116.97 121.15 3blj h TYR 515 Ca 0.03 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 3blj h TYR 515 Cb 0.86 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3blj h TYR 515 CO 0.02 0.79 0.12 1.96 -1.64 0.00 0.00 178.16 179.41 3blj h GLN 516 N 0.30 0.51 -0.55 1.82 1.08 -0.70 0.15 115.11 117.72 3blj h GLN 516 Ca 0.06 -0.10 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 3blj h GLN 516 Cb 0.60 -0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.85 3blj h GLN 516 CO 0.03 0.52 -0.42 0.28 -0.95 0.00 0.00 178.83 178.29 3blj h VAL 517 N 0.40 0.10 -0.57 -0.54 2.07 -1.40 -0.65 116.25 115.66 3blj h VAL 517 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3blj h VAL 517 Cb 0.21 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3blj h VAL 517 CO -0.01 0.00 0.19 0.50 0.02 0.00 0.00 177.57 178.27 3blj h LYS 518 N -0.24 0.86 -0.61 1.57 1.63 -0.98 -1.82 116.57 116.98 3blj h LYS 518 Ca 0.18 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3blj h LYS 518 Cb 0.57 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 3blj h LYS 518 CO -0.67 0.73 0.39 -0.22 -3.45 0.00 0.00 179.45 176.24 3blj h LYS 519 N 0.84 0.81 -0.20 1.90 3.64 -0.04 -0.68 116.57 122.83 3blj h LYS 519 Ca 0.19 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3blj h LYS 519 Cb 0.23 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3blj h LYS 519 CO -0.01 0.55 0.07 0.00 -2.27 0.00 0.00 179.45 177.79 3blj h ARG 520 N 0.82 0.31 -0.47 1.90 3.08 -0.78 0.05 114.38 119.29 3blj h ARG 520 Ca 0.22 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.28 3blj h ARG 520 Cb -0.07 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3blj h ARG 520 CO -0.05 0.40 0.10 1.96 -1.07 0.00 0.00 179.97 181.31 3blj h GLN 521 N 0.15 0.22 -0.32 0.04 4.20 -1.23 -1.38 115.11 116.80 3blj h GLN 521 Ca 0.06 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3blj h GLN 521 Cb 0.22 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3blj h GLN 521 CO -0.00 0.15 -0.28 1.98 -0.67 0.00 0.00 178.83 180.00 3blj h MET 522 N 0.23 0.65 -0.85 1.46 4.05 -0.95 0.84 114.93 120.37 3blj h MET 522 Ca 0.23 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3blj h MET 522 Cb 0.30 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 3blj h MET 522 CO -0.30 0.86 0.49 -0.44 0.23 0.00 0.00 176.91 177.76 3blj h ASP 523 N 0.56 1.04 -0.20 1.39 3.32 -0.74 0.16 116.42 121.95 3blj h ASP 523 Ca 0.07 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3blj h ASP 523 Cb 0.77 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3blj h ASP 523 CO 0.06 0.82 -0.23 0.40 -1.72 0.00 0.00 179.24 178.57 3blj h ILE 524 N 1.18 1.33 -0.22 0.35 2.04 -0.92 -3.34 117.51 117.93 3blj h ILE 524 Ca 0.30 -1.41 -0.14 0.00 1.00 0.00 0.00 64.86 64.61 3blj h ILE 524 Cb -0.01 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3blj h ILE 524 CO -0.05 0.43 -0.45 0.50 0.00 0.00 0.00 178.15 178.58 3blj h LYS 525 N 0.19 0.56 -6.26 2.37 3.64 -0.69 -3.45 116.57 112.94 3blj h LYS 525 Ca 0.03 -0.30 -0.57 0.00 -1.27 0.00 0.00 60.65 58.54 3blj h LYS 525 Cb 0.79 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 3blj h LYS 525 CO 0.06 0.90 -0.13 -0.80 -2.27 0.00 0.00 179.45 177.21 3blj s ASN 526 N -6.87 6.78 -0.73 4.20 0.01 0.03 -5.00 114.94 113.36 3blj s ASN 526 Ca -0.07 1.01 -0.27 0.00 -0.71 0.00 0.00 52.86 52.81 3blj s ASN 526 Cb 0.12 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.54 3blj s ASN 526 CO 0.83 0.13 1.34 -0.62 -1.51 0.00 0.00 177.10 177.27 3blj s ASP 527 N -1.70 6.07 -1.50 -1.22 2.15 -1.26 -4.34 116.67 114.87 3blj s ASP 527 Ca 0.36 -0.36 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 3blj s ASP 527 Cb -0.15 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3blj s ASP 527 CO 0.19 -1.90 0.27 1.41 -0.17 0.00 0.00 175.17 174.97 3blj n HIS 528 N 9.74 -1.47 -3.89 -5.34 8.25 -1.26 -4.96 115.22 116.28 3blj n HIS 528 Ca 0.05 0.69 -0.27 0.00 -0.26 0.00 0.00 57.72 57.93 3blj n HIS 528 Cb 0.49 -3.23 -0.03 0.00 1.12 0.00 0.00 29.99 28.34 3blj n HIS 528 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3blj s LYS 529 N -6.95 3.46 -0.63 -0.41 2.47 -1.26 -5.05 119.74 111.36 3blj s LYS 529 Ca 0.08 -0.52 -0.23 0.00 -1.56 0.00 0.00 55.97 53.74 3blj s LYS 529 Cb -0.05 -2.95 0.06 0.00 -1.46 0.00 0.00 37.83 33.43 3blj s LYS 529 CO 0.94 0.51 0.97 -0.80 0.16 0.00 0.00 175.35 177.14 3blj s ASN 530 N -3.11 6.22 0.03 1.43 0.01 -1.26 -4.92 114.94 113.34 3blj s ASN 530 Ca 0.35 -0.78 0.24 0.00 -0.71 0.00 0.00 52.86 51.97 3blj s ASN 530 Cb -0.11 -2.43 0.36 0.00 0.41 0.00 0.00 41.25 39.48 3blj s ASN 530 CO 0.28 -1.40 1.31 0.59 -1.51 0.00 0.00 177.10 176.37 3blj n ASN 531 N 7.73 0.58 -4.40 -1.22 3.02 -1.26 -4.59 115.26 115.11 3blj n ASN 531 Ca -0.02 -0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.00 3blj n ASN 531 Cb 0.46 0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.85 3blj n ASN 531 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3blj s GLU 532 N -3.06 2.64 0.10 3.52 2.12 -1.26 -1.15 118.70 121.60 3blj s GLU 532 Ca 0.09 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.73 3blj s GLU 532 Cb 0.16 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 3blj s GLU 532 CO 0.73 0.50 -0.17 1.03 -0.54 0.00 0.00 175.26 176.81 3blj s ARG 533 N -0.42 0.98 -0.28 4.30 0.52 0.52 -4.94 118.95 119.64 3blj s ARG 533 Ca 0.05 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.98 3blj s ARG 533 Cb -0.12 -1.06 -0.03 0.00 0.52 0.00 0.00 34.95 34.27 3blj s ARG 533 CO 0.02 0.23 0.46 -1.17 0.02 0.00 0.00 175.30 174.86 3blj s LEU 534 N -1.98 4.11 0.32 2.53 2.96 -1.26 -0.08 118.68 125.28 3blj s LEU 534 Ca 0.04 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3blj s LEU 534 Cb -0.09 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 3blj s LEU 534 CO 0.03 -0.28 0.13 -0.76 -1.32 0.00 0.00 176.35 174.15 3blj s LEU 535 N 2.23 1.82 0.24 -0.68 1.43 0.45 -4.92 118.68 119.26 3blj s LEU 535 Ca 0.18 -1.53 0.10 0.00 -1.03 0.00 0.00 54.13 51.85 3blj s LEU 535 Cb -0.16 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 3blj s LEU 535 CO 0.10 -0.83 -0.11 -0.36 0.23 0.00 0.00 176.35 175.39 3blj s PHE 536 N -3.49 2.52 -0.22 0.29 0.08 0.73 0.18 117.98 118.07 3blj s PHE 536 Ca 0.33 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 3blj s PHE 536 Cb 0.05 -1.15 0.11 0.00 -0.57 0.00 0.00 43.02 41.47 3blj s PHE 536 CO 0.16 0.62 0.39 -1.58 -0.10 0.00 0.00 175.22 174.70 3blj s HIS 537 N -2.18 -0.79 0.25 0.36 2.46 -0.42 -0.32 115.29 114.65 3blj s HIS 537 Ca 0.29 1.12 -0.30 0.00 0.47 0.00 0.00 55.06 56.64 3blj s HIS 537 Cb -0.07 0.13 -0.09 0.00 -0.13 0.00 0.00 32.58 32.42 3blj s HIS 537 CO 0.16 -0.60 0.98 0.20 -2.47 0.00 0.00 174.74 173.01 3blj s GLY 538 N 2.57 3.10 0.02 1.59 0.00 -1.26 -0.14 107.32 113.21 3blj s GLY 538 Ca 0.06 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.47 3blj s GLY 538 CO -0.14 1.27 -0.02 -0.51 0.00 0.00 0.00 173.10 173.70 3blj s THR 539 N -1.15 0.13 0.68 0.90 -4.23 -0.80 -4.51 115.64 106.65 3blj s THR 539 Ca 0.42 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.77 3blj s THR 539 Cb -0.27 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.09 3blj s THR 539 CO 0.34 -0.58 1.06 1.51 -0.54 0.00 0.00 174.62 176.41 3blj s ASP 540 N -1.70 5.49 0.40 3.99 -4.77 -1.25 -4.10 116.67 114.73 3blj s ASP 540 Ca -0.12 1.61 0.10 0.00 -3.30 0.00 0.00 52.55 50.83 3blj s ASP 540 Cb -0.07 -2.49 0.89 0.00 -1.09 0.00 0.00 42.92 40.16 3blj s ASP 540 CO -0.02 -1.37 1.99 0.00 0.70 0.00 0.00 175.17 176.46 3blj h ALA 541 N -0.61 1.84 0.00 2.11 0.00 -1.92 -2.65 119.26 118.03 3blj h ALA 541 Ca -0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3blj h ALA 541 Cb 1.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3blj h ALA 541 CO 0.57 0.05 -0.14 -0.44 0.00 0.00 0.00 179.25 179.30 3blj h ASP 542 N 0.57 0.00 0.28 0.00 3.32 -1.97 -2.93 116.42 115.69 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 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3blj h ASP 542 CO -0.08 0.14 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.14 3blj n SER 543 N -3.22 0.89 0.01 6.45 7.64 -1.00 -4.45 113.62 119.93 3blj n SER 543 Ca 0.01 -0.80 -0.12 0.00 1.01 0.00 0.00 58.87 58.97 3blj n SER 543 Cb 0.44 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.03 1.16 -0.68 0.44 2.07 -1.56 -1.87 116.25 116.84 3blj h VAL 544 Ca 0.00 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3blj h VAL 544 Cb 0.48 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3blj h VAL 544 CO 0.00 0.13 0.43 -0.65 0.02 0.00 0.00 177.57 177.50 3blj h PRO 545 N -0.16 0.82 0.04 1.57 0.11 -1.79 0.52 132.00 133.11 3blj h PRO 545 Ca 0.01 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.09 3blj h PRO 545 Cb 0.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3blj h PRO 545 CO -0.00 0.54 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.27 3blj h TYR 546 N 0.84 -0.36 -0.63 0.65 3.20 -1.81 -2.06 116.97 116.80 3blj h TYR 546 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3blj h TYR 546 Cb 0.00 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3blj h TYR 546 CO -0.04 -0.21 0.41 0.28 -1.64 0.00 0.00 178.16 176.96 3blj h VAL 547 N -0.25 1.17 -0.94 1.81 2.07 -1.04 0.82 116.25 119.89 3blj h VAL 547 Ca 0.04 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.35 3blj h VAL 547 Cb 0.29 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 3blj h VAL 547 CO -0.11 0.17 0.57 0.78 0.02 0.00 0.00 177.57 179.00 3blj h ASN 548 N 0.86 0.83 0.38 0.57 2.35 -0.70 0.22 115.58 120.08 3blj h ASN 548 Ca 0.23 0.05 -0.32 0.00 -0.55 0.00 0.00 56.30 55.71 3blj h ASN 548 Cb -0.08 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3blj h ASN 548 CO -0.05 0.45 -1.73 1.56 -1.65 0.00 0.00 177.43 176.00 3blj h GLN 549 N 0.92 0.15 0.00 0.81 1.08 -0.63 -3.43 115.11 114.01 3blj h GLN 549 Ca 0.47 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3blj h GLN 549 Cb 0.46 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3blj h GLN 549 CO -0.27 0.90 0.00 0.72 -0.95 0.00 0.00 178.83 179.24 3blj n HIS 550 N -3.30 0.00 -4.31 2.96 8.25 0.28 -4.86 115.22 114.24 3blj n HIS 550 Ca -0.21 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3blj n HIS 550 Cb 1.05 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.15 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 -0.07 -0.21 3.57 -1.41 0.00 0.75 -4.84 105.19 102.98 3blj n GLY 551 Ca 0.00 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 3.15 -0.21 1.61 0.08 -1.26 -4.14 117.98 117.21 3blj s PHE 552 Ca 0.00 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 3blj s PHE 552 Cb 0.00 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3blj s PHE 552 CO 0.00 0.06 -0.12 1.21 -0.10 0.00 0.00 175.22 176.27 3blj s ASN 553 N 0.37 3.80 0.65 1.36 3.84 -1.26 -4.89 114.94 118.80 3blj s ASN 553 Ca -0.00 -0.70 0.40 0.00 0.21 0.00 0.00 52.86 52.77 3blj s ASN 553 Cb -0.13 -1.59 2.26 0.00 -0.55 0.00 0.00 41.25 41.23 3blj s ASN 553 CO 0.01 -0.05 2.34 0.08 -2.79 0.00 0.00 177.10 176.69 3blj h ARG 554 N 7.99 0.00 0.00 0.43 0.11 -1.92 -2.53 114.38 118.46 3blj h ARG 554 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3blj h ARG 554 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3blj h ARG 554 CO 0.60 0.00 0.00 0.43 0.10 0.00 0.00 179.97 181.10 3blj n SER 555 N -3.30 0.47 0.00 0.08 7.64 -1.26 -4.05 113.62 113.20 3blj n SER 555 Ca -0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.41 3blj n SER 555 Cb 0.08 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 3blj n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3blj n ALA 557 N -1.54 0.00 0.00 0.00 0.00 -1.14 -5.12 120.51 112.71 3blj n ALA 557 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3blj n ALA 557 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3blj n ALA 557 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3blj n SER 563 N -0.55 0.00 -0.09 0.00 3.41 -1.26 -5.12 113.62 110.01 3blj n SER 563 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 3blj n SER 563 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3blj n SER 563 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3blj n TYR 564 N 0.00 0.00 0.00 7.33 4.01 -1.26 -1.82 117.16 125.42 3blj n TYR 564 Ca 0.00 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 3blj n TYR 564 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.07 3.91 2.75 2.72 0.00 -1.08 -3.42 105.19 108.98 3blj n GLY 565 Ca 0.11 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.46 2.99 0.00 1.61 5.02 0.39 -4.86 118.16 121.86 3blj n LYS 566 Ca 0.00 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 3blj n LYS 566 Cb 0.00 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 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 3.87 6.25 3.67 0.72 0.00 -1.26 -4.80 105.19 113.64 3blj n GLY 567 Ca 0.50 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 3blj n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3blj s THR 568 N 0.10 4.08 -0.11 2.61 -4.23 -0.07 -4.76 115.64 113.26 3blj s THR 568 Ca 0.00 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3blj s THR 568 Cb 0.00 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3blj s THR 568 CO 0.00 0.38 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.07 3blj s TYR 569 N -1.07 2.91 -0.04 3.99 2.02 -1.26 -1.90 117.35 121.99 3blj s TYR 569 Ca 0.19 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3blj s TYR 569 Cb -0.11 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3blj s TYR 569 CO 0.10 0.07 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.01 3blj s PHE 570 N -0.15 0.95 0.00 2.71 0.08 -0.11 -4.83 117.98 116.63 3blj s PHE 570 Ca 0.01 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 3blj s PHE 570 Cb -0.13 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 3blj s PHE 570 CO 0.03 -0.19 0.35 0.00 -0.10 0.00 0.00 175.22 175.31 3blj s ALA 571 N 0.68 3.75 0.21 5.36 0.00 0.57 -0.98 121.76 131.35 3blj s ALA 571 Ca -0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 3blj s ALA 571 Cb -0.13 -2.26 0.16 0.00 0.00 0.00 0.00 23.12 20.88 3blj s ALA 571 CO 0.01 0.54 1.76 0.28 0.00 0.00 0.00 175.76 178.35 3blj h VAL 572 N 3.48 1.26 -3.47 0.00 2.07 -1.64 0.21 116.25 118.17 3blj h VAL 572 Ca -0.51 -0.88 -0.66 0.00 0.82 0.00 0.00 66.70 65.46 3blj h VAL 572 Cb 1.21 0.40 -0.23 0.00 -1.52 0.00 0.00 31.29 31.15 3blj h VAL 572 CO 0.62 0.35 -0.73 -1.81 0.02 0.00 0.00 177.57 176.03 3blj s ASP 573 N -6.41 4.34 0.46 0.57 1.01 -1.26 -4.76 116.67 110.62 3blj s ASP 573 Ca -0.12 -0.20 0.13 0.00 0.71 0.00 0.00 52.55 53.07 3blj s ASP 573 Cb 0.15 -1.48 1.07 0.00 1.01 0.00 0.00 42.92 43.67 3blj s ASP 573 CO 0.84 0.22 2.05 0.00 0.21 0.00 0.00 175.17 178.50 3blj h ALA 574 N 6.27 1.95 -0.98 5.23 0.00 -1.86 -2.31 119.26 127.56 3blj h ALA 574 Ca -0.34 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.73 3blj h ALA 574 Cb 1.19 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3blj h ALA 574 CO 0.56 -0.02 0.61 0.66 0.00 0.00 0.00 179.25 181.07 3blj h SER 575 N 0.32 0.75 0.03 0.00 4.64 -1.88 0.26 113.55 117.66 3blj h SER 575 Ca 0.16 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3blj h SER 575 Cb 0.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3blj h SER 575 CO -0.04 0.31 -0.02 0.22 -0.87 0.00 0.00 176.83 176.44 3blj h TYR 576 N 0.75 -0.04 0.00 4.77 3.20 -1.81 -2.87 116.97 120.97 3blj h TYR 576 Ca 0.53 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.38 3blj h TYR 576 Cb 0.84 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3blj h TYR 576 CO -0.00 0.07 -0.11 0.77 -1.64 0.00 0.00 178.16 177.25 3blj h SER 577 N -0.15 0.00 0.99 -2.11 0.02 -1.50 -3.07 113.55 107.74 3blj h SER 577 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3blj h SER 577 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3blj h SER 577 CO 0.01 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 3blj h ALA 578 N 1.89 1.00 -2.20 3.77 0.00 -0.73 -2.97 119.26 120.02 3blj h ALA 578 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 3blj h ALA 578 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.26 3blj h ALA 578 CO 0.01 0.00 0.40 1.63 0.00 0.00 0.00 179.25 181.30 3blj n LYS 579 N -2.91 1.75 0.27 0.00 5.02 -1.16 -4.63 118.16 116.50 3blj n LYS 579 Ca 0.01 0.62 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 3blj n LYS 579 Cb 0.30 -2.15 0.83 0.00 -0.02 0.00 0.00 35.03 33.98 3blj n LYS 579 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3blj h ASP 580 N 3.02 0.00 0.76 4.39 3.32 -1.86 0.44 116.42 126.49 3blj h ASP 580 Ca -0.43 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 3blj h ASP 580 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3blj h ASP 580 CO 0.67 0.00 -0.22 0.71 -1.72 0.00 0.00 179.24 178.68 3blj h THR 581 N 0.00 0.60 0.00 0.35 1.35 -1.93 -2.91 112.91 110.36 3blj h THR 581 Ca 0.02 -1.01 -0.36 0.00 -0.55 0.00 0.00 66.41 64.51 3blj h THR 581 Cb 0.09 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 68.13 3blj h THR 581 CO -0.00 0.21 -2.17 -1.22 -0.25 0.00 0.00 175.52 172.09 3blj n TYR 582 N -3.47 0.00 -3.12 4.73 4.01 -0.13 -4.62 117.16 114.56 3blj n TYR 582 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3blj n TYR 582 Cb 0.39 -0.80 -0.01 0.00 -0.31 0.00 0.00 39.34 38.61 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 -4.07 5.90 -4.68 7.72 3.41 -0.04 -2.18 113.62 119.68 3blj n SER 583 Ca -0.43 -3.36 -0.50 0.00 -0.26 0.00 0.00 58.87 54.32 3blj n SER 583 Cb 0.79 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 3blj n SER 583 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3blj n LYS 584 N 1.45 1.98 -1.69 4.33 4.81 -1.10 -4.54 118.16 123.40 3blj n LYS 584 Ca 0.26 0.72 -0.45 0.00 -0.87 0.00 0.00 58.31 57.97 3blj n LYS 584 Cb 0.35 -2.56 -0.04 0.00 0.02 0.00 0.00 35.03 32.80 3blj n LYS 584 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3blj n PRO 585 N 6.55 2.42 -0.29 1.64 -0.02 -1.26 -4.44 135.00 139.60 3blj n PRO 585 Ca 0.24 0.88 -0.06 0.00 -2.02 0.00 0.00 63.50 62.54 3blj n PRO 585 Cb 0.27 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.10 3blj n PRO 585 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3blj n ASP 586 N 4.30 -0.59 -0.12 2.55 5.68 0.28 -4.81 116.55 123.84 3blj n ASP 586 Ca 0.18 -0.87 0.07 0.00 -0.50 0.00 0.00 54.79 53.67 3blj n ASP 586 Cb 0.32 -0.20 0.40 0.00 -1.14 0.00 0.00 41.12 40.50 3blj n ASP 586 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3blj h SER 587 N -0.83 0.56 0.21 -1.12 4.64 -1.94 -0.68 113.55 114.38 3blj h SER 587 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3blj h SER 587 Cb 0.24 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3blj h SER 587 CO 0.06 0.37 -0.04 0.59 -0.87 0.00 0.00 176.83 176.93 3blj n ASN 588 N -4.47 0.41 0.00 4.97 5.03 -1.26 -4.89 115.26 115.05 3blj n ASN 588 Ca 0.09 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.73 3blj n ASN 588 Cb 0.22 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 3blj n ASN 588 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3blj n GLY 589 N 1.17 0.66 3.72 7.41 0.00 -0.26 -5.04 105.19 112.84 3blj n GLY 589 Ca 0.18 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.34 4.45 0.23 1.61 0.52 -1.26 -4.54 118.95 119.62 3blj s ARG 590 Ca 0.00 0.93 0.08 0.00 -0.52 0.00 0.00 55.73 56.22 3blj s ARG 590 Cb 0.00 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 3blj s ARG 590 CO 0.00 0.07 0.02 0.15 0.02 0.00 0.00 175.30 175.56 3blj s LYS 591 N 0.75 2.40 -0.02 3.54 1.02 0.43 -0.56 119.74 127.31 3blj s LYS 591 Ca 0.38 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.11 3blj s LYS 591 Cb -0.18 -2.28 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3blj s LYS 591 CO 0.19 0.40 0.03 -1.01 -0.92 0.00 0.00 175.35 174.04 3blj s HIS 592 N -2.07 0.08 0.04 3.18 3.76 -1.26 -0.92 115.29 118.09 3blj s HIS 592 Ca 0.30 0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 3blj s HIS 592 Cb -0.08 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.30 3blj s HIS 592 CO 0.20 -0.11 -0.05 0.00 -0.85 0.00 0.00 174.74 173.94 3blj s MET 593 N 1.16 0.48 0.06 1.40 0.23 -0.68 -1.90 119.30 120.04 3blj s MET 593 Ca -0.08 -0.83 -0.02 0.00 -1.03 0.00 0.00 55.69 53.73 3blj s MET 593 Cb -0.13 -0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.11 3blj s MET 593 CO -0.03 -0.03 0.25 0.71 -2.03 0.00 0.00 175.02 173.89 3blj s TYR 594 N -2.10 3.52 -0.18 3.16 2.02 0.80 -0.73 117.35 123.84 3blj s TYR 594 Ca -0.07 0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.86 3blj s TYR 594 Cb -0.05 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3blj s TYR 594 CO -0.03 0.57 0.30 0.08 -1.57 0.00 0.00 175.55 174.90 3blj s VAL 595 N -1.49 5.29 -0.04 0.71 1.01 -0.19 -1.29 120.40 124.39 3blj s VAL 595 Ca 0.34 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3blj s VAL 595 Cb -0.13 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3blj s VAL 595 CO 0.24 0.35 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 3blj s VAL 596 N 0.78 0.62 -0.27 2.92 1.01 0.13 -0.98 120.40 124.61 3blj s VAL 596 Ca 0.16 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3blj s VAL 596 Cb -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.63 3blj s VAL 596 CO 0.05 0.24 0.92 -0.13 0.00 0.00 0.00 175.10 176.18 3blj s ARG 597 N 0.76 4.13 -0.11 2.72 0.52 -0.11 -0.41 118.95 126.45 3blj s ARG 597 Ca -0.11 0.99 0.02 0.00 -0.52 0.00 0.00 55.73 56.11 3blj s ARG 597 Cb -0.14 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.64 3blj s ARG 597 CO 0.01 -0.66 -0.17 0.08 0.02 0.00 0.00 175.30 174.57 3blj s VAL 598 N 3.12 2.70 -1.34 3.52 1.01 0.89 -0.28 120.40 130.02 3blj s VAL 598 Ca 0.39 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 3blj s VAL 598 Cb -0.14 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.22 3blj s VAL 598 CO 0.10 0.55 1.88 0.18 0.00 0.00 0.00 175.10 177.80 3blj n LEU 599 N 3.32 5.60 0.09 3.92 4.77 0.25 -0.35 117.00 134.59 3blj n LEU 599 Ca -0.18 -4.04 -0.07 0.00 -0.03 0.00 0.00 56.01 51.69 3blj n LEU 599 Cb 0.53 -1.71 0.05 0.00 -2.33 0.00 0.00 43.42 39.96 3blj n LEU 599 CO 0.29 0.51 0.35 0.71 -1.33 0.00 0.00 177.39 177.92 3blj h THR 600 N 4.98 1.46 0.00 -5.08 1.35 -1.43 -3.43 112.91 110.75 3blj h THR 600 Ca 0.48 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3blj h THR 600 Cb 0.79 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3blj h THR 600 CO 1.59 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 178.16 3blj n GLY 601 N 0.62 3.26 3.74 5.82 0.00 -0.70 -3.23 105.19 114.70 3blj n GLY 601 Ca -0.03 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 5.29 0.27 1.61 1.01 -1.26 -4.79 120.40 122.52 3blj s VAL 602 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3blj s VAL 602 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 3blj s VAL 602 CO 0.00 0.41 0.02 0.72 0.00 0.00 0.00 175.10 176.25 3blj s PHE 603 N 0.27 1.72 0.22 5.22 -0.12 -1.26 0.07 117.98 124.10 3blj s PHE 603 Ca 0.18 -0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 56.01 3blj s PHE 603 Cb -0.13 -1.04 -0.01 0.00 -0.63 0.00 0.00 43.02 41.21 3blj s PHE 603 CO 0.05 -0.02 0.41 -0.08 -0.05 0.00 0.00 175.22 175.53 3blj s THR 604 N -3.37 0.01 0.22 -4.49 -1.32 -1.17 -5.00 115.64 100.52 3blj s THR 604 Ca 0.32 -1.43 -0.30 0.00 -1.21 0.00 0.00 61.69 59.06 3blj s THR 604 Cb 0.07 -2.14 -0.10 0.00 -1.51 0.00 0.00 72.50 68.82 3blj s THR 604 CO 0.11 -0.06 1.44 -0.75 -2.21 0.00 0.00 174.62 173.16 3blj s LYS 605 N -4.02 4.28 0.90 7.08 2.20 -1.26 -0.97 119.74 127.95 3blj s LYS 605 Ca 0.23 2.27 -0.11 0.00 -0.36 0.00 0.00 55.97 57.99 3blj s LYS 605 Cb 0.01 -3.14 0.19 0.00 -1.51 0.00 0.00 37.83 33.38 3blj s LYS 605 CO 0.07 -0.44 1.23 0.20 -0.36 0.00 0.00 175.35 176.06 3blj s GLY 606 N 0.56 1.79 0.14 5.54 0.00 0.47 -4.76 107.32 111.06 3blj s GLY 606 Ca 0.61 -1.49 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 3blj s GLY 606 CO 0.39 -0.74 0.72 1.09 0.00 0.00 0.00 173.10 174.57 3blj s ARG 607 N -5.68 1.24 0.57 2.90 1.70 -1.22 -4.91 118.95 113.55 3blj s ARG 607 Ca 0.73 -0.53 -0.20 0.00 -0.47 0.00 0.00 55.73 55.27 3blj s ARG 607 Cb -0.03 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 3blj s ARG 607 CO 0.51 -0.55 1.26 0.00 -1.08 0.00 0.00 175.30 175.44 3blj s ALA 608 N -3.58 2.64 0.00 7.88 0.00 -0.75 -2.64 121.76 125.32 3blj s ALA 608 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3blj s ALA 608 Cb -0.02 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3blj s ALA 608 CO -0.08 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.86 3blj n GLY 609 N 0.63 2.28 3.67 0.00 0.00 -1.26 -4.82 105.19 105.70 3blj n GLY 609 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 3blj n GLY 609 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3blj n LEU 610 N 0.00 3.14 -0.00 0.99 4.77 -1.23 -4.75 117.00 119.92 3blj n LEU 610 Ca 0.00 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.16 3blj n LEU 610 Cb 0.00 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 39.55 3blj n LEU 610 CO 0.00 -0.35 -0.48 1.33 -1.33 0.00 0.00 177.39 176.56 3blj n VAL 611 N 2.82 0.00 -4.20 4.08 0.24 -1.26 -0.46 118.33 119.54 3blj n VAL 611 Ca 0.15 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 3blj n VAL 611 Cb 0.30 0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 3blj n VAL 611 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3blj s THR 612 N -2.90 0.00 0.83 3.34 -4.23 -1.26 -4.91 115.64 106.51 3blj s THR 612 Ca -0.02 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 3blj s THR 612 Cb 0.11 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.55 3blj s THR 612 CO 0.65 0.00 1.09 -2.84 -0.54 0.00 0.00 174.62 172.98 3blj s PRO 613 N -4.04 1.78 0.82 3.99 0.02 -1.26 -4.98 135.00 131.34 3blj s PRO 613 Ca 0.39 0.95 -0.12 0.00 0.02 0.00 0.00 61.00 62.24 3blj s PRO 613 Cb 0.06 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.81 3blj s PRO 613 CO 0.14 -1.91 1.15 -2.14 -0.33 0.00 0.00 177.00 173.91 3blj s PRO 614 N -4.94 1.69 0.52 5.54 0.02 -1.26 -4.66 135.00 131.91 3blj s PRO 614 Ca 0.62 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.94 3blj s PRO 614 Cb -0.17 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3blj s PRO 614 CO 0.56 -2.13 1.19 -1.25 -0.33 0.00 0.00 177.00 175.05 3blj s PRO 615 N -4.50 3.40 0.21 5.54 0.04 -1.26 -1.22 135.00 137.21 3blj s PRO 615 Ca 0.67 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 63.46 3blj s PRO 615 Cb -0.23 -2.17 0.18 0.00 0.04 0.00 0.00 34.50 32.31 3blj s PRO 615 CO 0.53 -0.86 1.67 0.87 0.04 0.00 0.00 177.00 179.26 3blj h LYS 616 N 1.49 0.92 -4.23 4.56 1.57 -1.06 -3.41 116.57 116.40 3blj h LYS 616 Ca -0.50 -0.30 -0.51 0.00 -1.87 0.00 0.00 60.65 57.48 3blj h LYS 616 Cb 1.27 -0.08 -0.36 0.00 0.08 0.00 0.00 32.23 33.14 3blj h LYS 616 CO 0.58 0.95 -0.80 1.21 -0.57 0.00 0.00 179.45 180.82 3blj s ASN 617 N -6.64 1.93 0.00 0.86 2.47 -1.26 -5.02 114.94 107.27 3blj s ASN 617 Ca -0.10 -0.27 0.07 0.00 0.42 0.00 0.00 52.86 52.98 3blj s ASN 617 Cb 0.14 -0.76 0.42 0.00 -1.45 0.00 0.00 41.25 39.59 3blj s ASN 617 CO 0.84 -0.09 0.94 -0.81 -3.72 0.00 0.00 177.10 174.26 3blj n PRO 618 N 4.64 0.20 -0.00 0.43 -0.04 -1.26 -1.38 135.00 137.59 3blj n PRO 618 Ca -0.15 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 3blj n PRO 618 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 3blj n PRO 618 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3blj n HIS 619 N -1.06 0.00 -3.79 0.54 8.25 -1.26 -4.41 115.22 113.49 3blj n HIS 619 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 3blj n HIS 619 Cb 0.03 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 3blj n HIS 619 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3blj s ASN 620 N -3.75 5.24 0.00 0.41 3.84 -0.48 -5.00 114.94 115.20 3blj s ASN 620 Ca 0.00 -3.64 0.12 0.00 0.21 0.00 0.00 52.86 49.55 3blj s ASN 620 Cb 0.15 -1.76 0.52 0.00 -0.55 0.00 0.00 41.25 39.62 3blj s ASN 620 CO 0.89 -0.16 1.38 -0.81 -2.79 0.00 0.00 177.10 175.61 3blj n PRO 621 N 2.35 0.01 0.00 0.43 -0.04 -1.25 -1.97 135.00 134.53 3blj n PRO 621 Ca 0.18 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 3blj n PRO 621 Cb 0.36 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 3blj n PRO 621 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3blj n THR 622 N -1.48 0.00 -2.88 0.52 -2.24 -1.26 -4.61 114.28 102.33 3blj n THR 622 Ca 0.03 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3blj n THR 622 Cb 0.14 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.60 6.20 0.07 3.42 2.15 -0.83 -5.02 116.67 120.06 3blj s ASP 623 Ca 0.13 -0.91 0.01 0.00 0.43 0.00 0.00 52.55 52.21 3blj s ASP 623 Cb 0.16 -2.41 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 3blj s ASP 623 CO 0.66 -1.37 0.14 -0.76 -0.17 0.00 0.00 175.17 173.67 3blj s LEU 624 N 3.93 4.08 0.95 -1.34 1.43 -1.26 -0.50 118.68 125.97 3blj s LEU 624 Ca 0.23 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3blj s LEU 624 Cb -0.17 -2.71 0.10 0.00 0.03 0.00 0.00 46.19 43.44 3blj s LEU 624 CO 0.11 0.17 0.74 0.49 0.23 0.00 0.00 176.35 178.10 3blj n PHE 625 N 0.39 -0.44 0.05 0.29 3.72 -0.36 -4.70 117.46 116.41 3blj n PHE 625 Ca -0.07 0.29 -0.01 0.00 -0.05 0.00 0.00 57.45 57.61 3blj n PHE 625 Cb 0.51 -1.87 -0.07 0.00 -0.94 0.00 0.00 39.48 37.11 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 -1.77 0.00 -5.10 4.37 3.32 -0.57 -3.42 116.42 113.24 3blj h ASP 626 Ca -0.44 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.62 3blj h ASP 626 Cb 1.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 3blj h ASP 626 CO 0.38 0.63 0.07 -0.94 -1.72 0.00 0.00 179.24 177.66 3blj s SER 627 N -5.98 -0.20 0.36 6.45 1.04 -1.20 -4.65 113.70 109.52 3blj s SER 627 Ca -0.02 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.76 3blj s SER 627 Cb 0.08 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.79 3blj s SER 627 CO 0.80 -1.23 0.03 0.68 0.98 0.00 0.00 173.24 174.50 3blj s VAL 628 N -3.95 1.56 0.22 5.02 -7.23 -0.68 -3.03 120.40 112.31 3blj s VAL 628 Ca 0.15 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3blj s VAL 628 Cb -0.03 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 3blj s VAL 628 CO 0.06 -0.02 0.24 0.28 -0.31 0.00 0.00 175.10 175.35 3blj s THR 629 N -3.03 0.00 0.18 5.32 -1.32 -0.14 -1.23 115.64 115.42 3blj s THR 629 Ca 0.35 -1.83 0.08 0.00 -1.21 0.00 0.00 61.69 59.09 3blj s THR 629 Cb 0.09 -2.43 -0.13 0.00 -1.51 0.00 0.00 72.50 68.52 3blj s THR 629 CO 0.16 0.00 1.42 -0.55 -2.21 0.00 0.00 174.62 173.44 3blj h ASN 630 N 2.49 0.00 -1.91 8.08 -1.07 -1.88 0.13 115.58 121.42 3blj h ASN 630 Ca -0.33 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.00 3blj h ASN 630 Cb 1.25 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.25 3blj h ASN 630 CO 0.47 0.84 -0.34 0.21 0.07 0.00 0.00 177.43 178.69 3blj s ASN 631 N -6.76 -0.52 0.19 6.14 3.84 -1.26 -4.86 114.94 111.71 3blj s ASN 631 Ca 0.00 0.85 0.01 0.00 0.21 0.00 0.00 52.86 53.93 3blj s ASN 631 Cb 0.11 1.63 0.08 0.00 -0.55 0.00 0.00 41.25 42.52 3blj s ASN 631 CO 0.80 -0.26 1.44 0.71 -2.79 0.00 0.00 177.10 177.00 3blj h THR 632 N 6.11 1.42 -0.20 -5.21 1.35 -1.92 -1.31 112.91 113.14 3blj h THR 632 Ca -0.19 -2.28 -0.20 0.00 -0.55 0.00 0.00 66.41 63.19 3blj h THR 632 Cb 1.13 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3blj h THR 632 CO 0.19 0.67 -0.67 -0.09 -0.25 0.00 0.00 175.52 175.37 3blj h ARG 633 N 0.19 0.78 -2.09 4.72 2.43 -2.02 -3.40 114.38 114.99 3blj h ARG 633 Ca -0.03 -0.57 -0.55 0.00 -0.81 0.00 0.00 59.98 58.02 3blj h ARG 633 Cb 1.33 0.10 -0.37 0.00 -0.42 0.00 0.00 29.97 30.61 3blj h ARG 633 CO 0.12 1.19 -1.01 0.45 -1.51 0.00 0.00 179.97 179.21 3blj n SER 634 N -3.96 -0.37 -4.74 -3.80 2.88 -1.22 -5.13 113.62 97.29 3blj n SER 634 Ca -0.06 -2.56 -0.41 0.00 -1.33 0.00 0.00 58.87 54.51 3blj n SER 634 Cb 0.69 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 3blj n SER 634 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3blj s PRO 635 N -0.45 4.38 -0.01 -1.46 0.02 -0.50 -4.67 135.00 132.33 3blj s PRO 635 Ca 0.34 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.55 3blj s PRO 635 Cb 0.10 -3.18 -0.14 0.00 0.02 0.00 0.00 34.50 31.30 3blj s PRO 635 CO -0.16 -0.25 0.40 0.36 -0.33 0.00 0.00 177.00 177.02 3blj n LYS 636 N 2.48 2.23 -3.74 5.54 2.85 -1.26 -4.84 118.16 121.41 3blj n LYS 636 Ca 0.06 -0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 3blj n LYS 636 Cb 0.43 -1.12 -0.08 0.00 -0.65 0.00 0.00 35.03 33.61 3blj n LYS 636 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 3blj s LEU 637 N -2.99 0.78 0.04 -5.58 0.05 -1.26 -1.68 118.68 108.05 3blj s LEU 637 Ca 0.01 -0.06 0.04 0.00 0.05 0.00 0.00 54.13 54.17 3blj s LEU 637 Cb 0.08 1.40 -0.02 0.00 -2.05 0.00 0.00 46.19 45.60 3blj s LEU 637 CO 0.47 -0.57 -0.13 -0.36 -0.55 0.00 0.00 176.35 175.22 3blj s PHE 638 N -2.13 1.10 -0.14 3.48 0.08 -0.16 -3.50 117.98 116.72 3blj s PHE 638 Ca -0.08 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3blj s PHE 638 Cb -0.02 -0.65 0.02 0.00 -0.57 0.00 0.00 43.02 41.80 3blj s PHE 638 CO -0.01 0.02 -0.16 0.08 -0.10 0.00 0.00 175.22 175.06 3blj s VAL 639 N -0.94 1.63 0.24 -0.44 1.01 -0.36 -0.94 120.40 120.60 3blj s VAL 639 Ca -0.01 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.37 3blj s VAL 639 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3blj s VAL 639 CO 0.01 0.47 0.02 0.68 0.00 0.00 0.00 175.10 176.28 3blj s VAL 640 N 1.28 3.64 0.00 2.92 -7.23 -0.80 -1.69 120.40 118.53 3blj s VAL 640 Ca 0.01 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3blj s VAL 640 Cb -0.14 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.88 3blj s VAL 640 CO -0.08 -0.31 0.33 0.49 -0.31 0.00 0.00 175.10 175.22 3blj n PHE 641 N -0.76 0.00 -4.41 2.82 3.72 -1.26 -0.90 117.46 116.67 3blj n PHE 641 Ca -0.07 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.12 3blj n PHE 641 Cb 0.58 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.28 1.91 0.03 1.38 0.08 -1.26 -4.96 117.98 114.87 3blj s PHE 642 Ca 0.00 -0.65 0.24 0.00 0.12 0.00 0.00 56.93 56.64 3blj s PHE 642 Cb 0.00 -1.03 0.81 0.00 -0.57 0.00 0.00 43.02 42.23 3blj s PHE 642 CO 0.00 0.32 1.78 -0.44 -0.10 0.00 0.00 175.22 176.77 3blj h ASP 643 N 2.34 0.00 -0.53 1.36 3.32 -1.96 -3.27 116.42 117.69 3blj h ASP 643 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3blj h ASP 643 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3blj h ASP 643 CO 0.66 0.20 0.01 -0.46 -1.72 0.00 0.00 179.24 177.93 3blj n ASN 644 N -3.29 5.39 -0.85 6.45 6.94 -1.26 -4.50 115.26 124.14 3blj n ASN 644 Ca 0.01 -2.97 0.10 0.00 -0.02 0.00 0.00 54.58 51.69 3blj n ASN 644 Cb 0.46 -0.67 0.13 0.00 -2.36 0.00 0.00 39.78 37.34 3blj n ASN 644 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3blj n GLN 645 N 0.38 1.94 -3.55 -3.83 6.02 -1.23 -4.39 117.38 112.72 3blj n GLN 645 Ca 0.27 -1.84 -0.16 0.00 -0.01 0.00 0.00 57.00 55.26 3blj n GLN 645 Cb 1.16 -1.39 -0.13 0.00 1.02 0.00 0.00 30.24 30.90 3blj n GLN 645 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3blj s ALA 646 N -1.45 -0.41 -0.26 -1.58 0.00 -1.26 -0.58 121.76 116.22 3blj s ALA 646 Ca 0.27 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 3blj s ALA 646 Cb 0.17 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3blj s ALA 646 CO 0.25 -0.98 0.12 -0.47 0.00 0.00 0.00 175.76 174.67 3blj s TYR 647 N 2.37 3.14 -0.56 0.00 5.04 0.61 -4.69 117.35 123.26 3blj s TYR 647 Ca 0.05 -0.19 -0.27 0.00 -2.44 0.00 0.00 57.07 54.22 3blj s TYR 647 Cb -0.14 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.86 3blj s TYR 647 CO -0.11 -0.26 1.84 -1.25 -1.34 0.00 0.00 175.55 174.43 3blj s PRO 648 N 1.62 2.77 -0.15 4.97 0.04 -1.26 -0.93 135.00 142.06 3blj s PRO 648 Ca 0.06 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 3blj s PRO 648 Cb -0.15 -4.35 -0.24 0.00 0.04 0.00 0.00 34.50 29.80 3blj s PRO 648 CO 0.06 -2.55 0.26 -1.91 0.04 0.00 0.00 177.00 172.90 3blj n GLU 649 N 9.02 0.73 -4.09 4.56 2.13 -0.15 -4.51 120.64 128.32 3blj n GLU 649 Ca 0.21 0.26 -0.14 0.00 0.66 0.00 0.00 57.16 58.15 3blj n GLU 649 Cb 0.51 -1.68 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 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 -2.54 0.56 -0.17 4.31 2.02 -0.95 -0.50 117.35 120.08 3blj s TYR 650 Ca -0.25 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.11 3blj s TYR 650 Cb 0.07 -0.35 -0.00 0.00 -0.40 0.00 0.00 41.96 41.28 3blj s TYR 650 CO 0.73 -0.06 -0.12 -1.17 -1.57 0.00 0.00 175.55 173.36 3blj s LEU 651 N -0.99 2.63 -0.31 -1.29 2.96 0.18 -1.02 118.68 120.83 3blj s LEU 651 Ca -0.05 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 3blj s LEU 651 Cb -0.07 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 3blj s LEU 651 CO 0.00 0.06 0.15 -0.63 -1.32 0.00 0.00 176.35 174.61 3blj s ILE 652 N 0.97 4.57 -0.17 6.68 1.01 0.09 -0.79 121.20 133.56 3blj s ILE 652 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 3blj s ILE 652 Cb -0.15 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3blj s ILE 652 CO -0.01 0.05 0.25 -0.89 0.00 0.00 0.00 174.94 174.34 3blj s THR 653 N 1.61 5.33 0.22 2.92 2.01 -0.73 -1.69 115.64 125.31 3blj s THR 653 Ca 0.04 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 3blj s THR 653 Cb -0.17 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.76 3blj s THR 653 CO 0.06 0.40 0.50 0.72 -0.69 0.00 0.00 174.62 175.61 3blj s PHE 654 N 0.46 0.13 0.08 4.92 -0.12 -0.10 -0.44 117.98 122.91 3blj s PHE 654 Ca 0.14 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 3blj s PHE 654 Cb -0.12 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 3blj s PHE 654 CO 0.02 -0.97 -0.12 0.95 -0.05 0.00 0.00 175.22 175.06 3blj s THR 655 N -3.95 0.95 -2.00 -4.49 -4.23 0.14 -0.42 115.64 101.64 3blj s THR 655 Ca 0.16 -1.40 0.21 0.00 -1.18 0.00 0.00 61.69 59.47 3blj s THR 655 Cb -0.01 -1.10 0.58 0.00 1.34 0.00 0.00 72.50 73.31 3blj s THR 655 CO 0.04 -0.38 1.61 0.00 -0.54 0.00 0.00 174.62 175.35