#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9k n VAL 440 N 0.00 0.00 -2.28 -0.18 0.24 -1.15 -4.45 118.33 110.50 3k9k n VAL 440 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3k9k n VAL 440 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3k9k n VAL 440 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3k9k s LYS 441 N -1.57 4.46 -0.02 7.34 -0.14 -1.26 -1.51 119.74 127.04 3k9k s LYS 441 Ca 0.00 2.00 0.01 0.00 -1.36 0.00 0.00 55.97 56.62 3k9k s LYS 441 Cb 0.00 -3.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.00 3k9k s LYS 441 CO 0.00 -0.09 -0.02 0.21 -0.76 0.00 0.00 175.35 174.69 3k9k s LYS 442 N -0.89 0.38 -0.89 1.68 2.20 0.27 -4.84 119.74 117.65 3k9k s LYS 442 Ca 0.51 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3k9k s LYS 442 Cb -0.35 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 3k9k s LYS 442 CO 0.42 -0.05 0.00 1.28 -0.36 0.00 0.00 175.35 176.64 3k9k n LEU 443 N 3.71 -0.67 0.00 5.43 4.77 -1.26 -0.45 117.00 128.52 3k9k n LEU 443 Ca -0.22 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3k9k n LEU 443 Cb 0.53 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3k9k n LEU 443 CO 0.24 -0.38 0.00 0.47 -1.33 0.00 0.00 177.39 176.38 3k9k n ASP 444 N -0.35 0.00 -4.61 -1.43 8.00 -1.26 -4.92 116.55 111.99 3k9k n ASP 444 Ca -0.09 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.14 3k9k n ASP 444 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 3k9k n ASP 444 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k9k s LYS 445 N -0.74 2.20 -0.93 -1.24 -0.14 0.40 -5.00 119.74 114.29 3k9k s LYS 445 Ca 0.00 -1.20 -0.24 0.00 -1.36 0.00 0.00 55.97 53.17 3k9k s LYS 445 Cb 0.00 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.92 3k9k s LYS 445 CO 0.00 0.44 1.66 -1.58 -0.76 0.00 0.00 175.35 175.11 3k9k s TRP 446 N -1.70 2.17 -0.11 3.18 0.23 -1.26 -0.57 118.94 120.89 3k9k s TRP 446 Ca 0.26 -0.11 0.02 0.00 -2.03 0.00 0.00 56.10 54.24 3k9k s TRP 446 Cb -0.09 -4.40 -0.01 0.00 0.03 0.00 0.00 33.47 29.00 3k9k s TRP 446 CO 0.16 -1.90 -0.17 0.54 0.96 0.00 0.00 176.95 176.55 3k9k s VAL 447 N 7.29 2.70 0.78 4.03 0.11 -0.57 -4.86 120.40 129.89 3k9k s VAL 447 Ca 0.56 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.66 3k9k s VAL 447 Cb -0.04 -2.09 -0.13 0.00 -1.53 0.00 0.00 36.38 32.59 3k9k s VAL 447 CO -0.03 0.54 -0.58 -2.65 -3.33 0.00 0.00 175.10 169.05 3k9k n PRO 448 N 3.38 0.00 0.09 1.54 -0.02 -1.26 -2.92 135.00 135.81 3k9k n PRO 448 Ca -0.18 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 3k9k n PRO 448 Cb 0.53 -0.87 -0.14 0.00 -0.02 0.00 0.00 33.50 33.00 3k9k n PRO 448 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k9k h HIS 449 N -0.69 0.96 -3.34 6.00 2.76 -1.90 -3.43 115.15 115.50 3k9k h HIS 449 Ca -0.38 -0.62 -0.66 0.00 -2.20 0.00 0.00 60.37 56.51 3k9k h HIS 449 Cb 1.15 -0.07 -0.33 0.00 1.55 0.00 0.00 27.41 29.71 3k9k h HIS 449 CO 0.19 1.47 -0.87 -1.21 -1.30 0.00 0.00 177.93 176.20 3k9k s GLU 450 N -2.88 2.89 0.01 5.26 0.41 -1.26 -5.10 118.70 118.03 3k9k s GLU 450 Ca -0.10 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 3k9k s GLU 450 Cb 0.05 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 3k9k s GLU 450 CO 0.92 0.15 1.18 -0.51 -0.49 0.00 0.00 175.26 176.51 3k9k s LEU 451 N 0.40 4.34 1.07 1.80 1.43 -1.26 -5.02 118.68 121.43 3k9k s LEU 451 Ca -0.18 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 3k9k s LEU 451 Cb -0.18 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.64 3k9k s LEU 451 CO 0.08 -0.49 0.70 1.07 0.23 0.00 0.00 176.35 177.93 3k9k n THR 452 N 4.18 0.00 0.30 5.49 5.66 -1.26 -4.76 114.28 123.89 3k9k n THR 452 Ca 0.09 -0.27 0.17 0.00 -3.05 0.00 0.00 64.05 61.00 3k9k n THR 452 Cb 0.47 -0.84 0.92 0.00 -1.55 0.00 0.00 70.33 69.33 3k9k n THR 452 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3k9k h GLU 453 N -2.17 0.00 0.01 1.09 4.57 -2.00 -2.61 114.58 113.47 3k9k h GLU 453 Ca -0.52 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.32 3k9k h GLU 453 Cb 1.32 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.85 3k9k h GLU 453 CO 0.42 0.04 -2.03 0.27 -1.18 0.00 0.00 179.01 176.53 3k9k n ASN 454 N -3.47 0.76 -0.28 1.04 6.94 -1.26 -2.47 115.26 116.53 3k9k n ASN 454 Ca -0.02 0.21 0.09 0.00 -0.02 0.00 0.00 54.58 54.84 3k9k n ASN 454 Cb 0.15 0.21 0.23 0.00 -2.36 0.00 0.00 39.78 38.02 3k9k n ASN 454 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3k9k h GLN 455 N 0.01 0.20 0.00 -3.83 4.20 -1.81 1.02 115.11 114.89 3k9k h GLN 455 Ca -0.41 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.19 3k9k h GLN 455 Cb 2.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.81 3k9k h GLN 455 CO 0.05 0.13 -0.45 1.57 -0.67 0.00 0.00 178.83 179.46 3k9k h LYS 456 N 0.20 0.00 -0.11 1.46 2.10 -1.58 -2.39 116.57 116.25 3k9k h LYS 456 Ca 0.49 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.07 3k9k h LYS 456 Cb 0.93 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.26 3k9k h LYS 456 CO -0.63 0.45 -0.19 -0.91 -2.00 0.00 0.00 179.45 176.18 3k9k h ASN 457 N 0.00 0.35 -0.71 7.07 -0.26 -0.18 -2.56 115.58 119.29 3k9k h ASN 457 Ca -0.00 -0.54 0.01 0.00 -0.56 0.00 0.00 56.30 55.20 3k9k h ASN 457 Cb 1.13 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.25 3k9k h ASN 457 CO 0.06 0.83 0.47 0.03 -1.06 0.00 0.00 177.43 177.76 3k9k h ARG 458 N -0.11 0.93 -0.19 0.81 2.47 0.88 0.31 114.38 119.49 3k9k h ARG 458 Ca 0.01 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3k9k h ARG 458 Cb 0.76 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3k9k h ARG 458 CO 0.04 0.62 0.12 0.00 0.56 0.00 0.00 179.97 181.31 3k9k h ARG 459 N 0.96 0.24 0.02 0.04 3.08 -1.45 -1.95 114.38 115.33 3k9k h ARG 459 Ca 0.26 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 3k9k h ARG 459 Cb -0.11 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 29.90 3k9k h ARG 459 CO -0.06 0.16 -0.33 0.35 -1.07 0.00 0.00 179.97 179.02 3k9k h PHE 460 N 0.25 0.30 -0.89 3.04 3.57 -0.73 -2.88 116.94 119.59 3k9k h PHE 460 Ca 0.07 -0.17 0.11 0.00 3.53 0.00 0.00 57.97 61.50 3k9k h PHE 460 Cb -0.02 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 3k9k h PHE 460 CO -0.00 1.02 0.58 1.49 -2.23 0.00 0.00 178.31 179.17 3k9k h GLU 461 N -0.51 0.81 0.09 1.11 4.81 -0.09 -1.40 114.58 119.40 3k9k h GLU 461 Ca -0.05 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 3k9k h GLU 461 Cb 1.13 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.34 3k9k h GLU 461 CO 0.06 0.54 -0.56 0.28 -0.73 0.00 0.00 179.01 178.60 3k9k h VAL 462 N 0.83 1.59 -0.27 0.32 2.07 -1.45 -2.78 116.25 116.57 3k9k h VAL 462 Ca 0.43 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 3k9k h VAL 462 Cb 0.50 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3k9k h VAL 462 CO -0.19 0.68 0.12 0.28 0.02 0.00 0.00 177.57 178.48 3k9k h SER 463 N -0.58 0.36 -0.10 0.57 0.02 -1.32 0.44 113.55 112.94 3k9k h SER 463 Ca -0.10 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3k9k h SER 463 Cb 1.43 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.83 3k9k h SER 463 CO 0.10 0.40 -0.25 -1.28 -1.14 0.00 0.00 176.83 174.66 3k9k h SER 464 N 0.30 -0.76 -0.30 3.07 0.87 -1.40 0.04 113.55 115.36 3k9k h SER 464 Ca 0.09 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3k9k h SER 464 Cb 0.14 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3k9k h SER 464 CO -0.01 -0.30 0.15 0.28 -0.53 0.00 0.00 176.83 176.42 3k9k h SER 465 N -0.33 0.39 -0.58 6.23 0.02 -1.13 -1.42 113.55 116.74 3k9k h SER 465 Ca 0.09 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3k9k h SER 465 Cb 0.47 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3k9k h SER 465 CO -0.29 0.39 0.36 -0.07 -1.14 0.00 0.00 176.83 176.09 3k9k h LEU 466 N 0.36 0.68 -0.18 5.07 3.38 0.06 0.66 115.31 125.33 3k9k h LEU 466 Ca 0.11 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3k9k h LEU 466 Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3k9k h LEU 466 CO -0.01 0.51 -0.05 0.40 0.09 0.00 0.00 178.44 179.38 3k9k h ILE 467 N 0.78 0.80 -0.03 1.22 2.04 -0.90 0.51 117.51 121.94 3k9k h ILE 467 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 3k9k h ILE 467 Cb -0.05 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3k9k h ILE 467 CO -0.04 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.05 3k9k h LEU 468 N -0.01 0.04 -0.68 1.44 3.38 -0.63 -0.03 115.31 118.83 3k9k h LEU 468 Ca 0.09 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3k9k h LEU 468 Cb 0.15 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3k9k h LEU 468 CO -0.19 0.22 0.38 -0.09 0.09 0.00 0.00 178.44 178.85 3k9k h ARG 469 N -0.14 0.69 -0.20 1.13 2.43 0.39 0.05 114.38 118.72 3k9k h ARG 469 Ca 0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3k9k h ARG 469 Cb 0.20 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3k9k h ARG 469 CO -0.00 0.46 -0.17 -0.97 -1.51 0.00 0.00 179.97 177.77 3k9k h ASN 470 N 0.71 0.33 -0.20 -3.80 -0.73 -0.73 0.92 115.58 112.08 3k9k h ASN 470 Ca 0.30 -0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 3k9k h ASN 470 Cb 0.17 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3k9k h ASN 470 CO -0.17 0.53 0.01 -0.74 -0.37 0.00 0.00 177.43 176.69 3k9k h HIS 471 N 0.32 0.38 0.05 0.67 2.76 0.44 -2.12 115.15 117.64 3k9k h HIS 471 Ca 0.06 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3k9k h HIS 471 Cb 0.50 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.36 3k9k h HIS 471 CO 0.01 0.53 -0.02 -0.91 -1.30 0.00 0.00 177.93 176.23 3k9k h ASN 472 N 0.13 -0.05 -2.80 3.26 2.35 -0.86 -3.41 115.58 114.18 3k9k h ASN 472 Ca 0.06 -0.24 -0.57 0.00 -0.55 0.00 0.00 56.30 54.99 3k9k h ASN 472 Cb 0.36 0.01 -0.39 0.00 0.05 0.00 0.00 38.32 38.35 3k9k h ASN 472 CO 0.01 0.22 -0.81 -1.61 -1.65 0.00 0.00 177.43 173.58 3k9k s GLU 473 N -5.13 0.59 -0.07 0.81 2.02 0.30 -5.11 118.70 112.11 3k9k s GLU 473 Ca -0.15 -1.24 -0.40 0.00 0.02 0.00 0.00 54.97 53.20 3k9k s GLU 473 Cb 0.04 -1.47 -0.19 0.00 0.10 0.00 0.00 34.13 32.60 3k9k s GLU 473 CO 0.65 -1.15 1.22 -2.30 0.02 0.00 0.00 175.26 173.71 3k9k n PRO 474 N 4.28 0.24 0.00 0.39 -0.02 -0.80 -4.39 135.00 134.70 3k9k n PRO 474 Ca 0.07 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3k9k n PRO 474 Cb 0.38 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3k9k n PRO 474 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k9k n PHE 475 N 2.20 0.00 0.28 6.00 -1.74 -1.26 -4.93 117.46 118.01 3k9k n PHE 475 Ca 0.22 -0.04 -0.16 0.00 -0.56 0.00 0.00 57.45 56.90 3k9k n PHE 475 Cb 0.08 -0.00 -0.08 0.00 1.52 0.00 0.00 39.48 40.99 3k9k n PHE 475 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 3k9k h LEU 476 N 0.00 -0.57 0.00 5.98 3.38 -1.95 -2.24 115.31 119.91 3k9k h LEU 476 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k9k h LEU 476 Cb 0.82 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3k9k h LEU 476 CO 0.00 -0.39 0.00 -0.90 0.09 0.00 0.00 178.44 177.24 3k9k n ASP 477 N -5.37 0.00 -0.48 -0.43 5.75 -1.26 0.14 116.55 114.91 3k9k n ASP 477 Ca -0.12 -0.07 0.08 0.00 -0.01 0.00 0.00 54.79 54.67 3k9k n ASP 477 Cb 0.28 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 3k9k n ASP 477 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k9k n ARG 478 N -0.90 1.57 -2.44 0.11 1.74 -0.84 -4.83 116.66 111.06 3k9k n ARG 478 Ca 0.01 -1.05 -0.41 0.00 -0.77 0.00 0.00 57.85 55.63 3k9k n ARG 478 Cb 0.01 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3k9k n ARG 478 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k9k s ILE 479 N -1.74 3.51 -0.14 0.55 1.01 0.12 -0.17 121.20 124.34 3k9k s ILE 479 Ca 0.16 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.25 3k9k s ILE 479 Cb 0.13 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3k9k s ILE 479 CO 0.34 0.31 -0.11 -0.69 0.00 0.00 0.00 174.94 174.79 3k9k s VAL 480 N -0.85 1.35 0.22 2.92 1.01 0.15 -4.24 120.40 120.96 3k9k s VAL 480 Ca 0.47 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.03 3k9k s VAL 480 Cb -0.32 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3k9k s VAL 480 CO 0.40 0.40 -0.17 0.28 0.00 0.00 0.00 175.10 176.01 3k9k s THR 481 N 1.57 2.01 -0.24 3.92 -1.32 -0.01 -0.54 115.64 121.03 3k9k s THR 481 Ca 0.05 -2.19 -0.26 0.00 -1.21 0.00 0.00 61.69 58.07 3k9k s THR 481 Cb -0.13 -2.08 0.09 0.00 -1.51 0.00 0.00 72.50 68.87 3k9k s THR 481 CO -0.10 -0.45 0.84 0.00 -2.21 0.00 0.00 174.62 172.71 3k9k s ASP 483 N 0.04 0.06 0.03 0.00 3.68 -1.17 -4.50 116.67 114.80 3k9k s ASP 483 Ca -0.00 -1.00 0.09 0.00 2.13 0.00 0.00 52.55 53.77 3k9k s ASP 483 Cb -0.04 0.65 -0.03 0.00 -1.45 0.00 0.00 42.92 42.06 3k9k s ASP 483 CO -0.00 -1.26 -0.26 -1.83 0.13 0.00 0.00 175.17 171.94 3k9k s GLU 484 N -3.64 1.83 -0.26 4.34 -1.05 -1.26 -2.56 118.70 116.11 3k9k s GLU 484 Ca 0.21 -1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 53.94 3k9k s GLU 484 Cb -0.02 -1.95 0.14 0.00 -0.44 0.00 0.00 34.13 31.86 3k9k s GLU 484 CO 0.11 0.51 0.48 0.21 0.95 0.00 0.00 175.26 177.52 3k9k s LYS 485 N -1.10 0.44 -0.49 -4.83 2.20 0.32 -4.96 119.74 111.32 3k9k s LYS 485 Ca 0.11 0.87 -0.33 0.00 -0.36 0.00 0.00 55.97 56.26 3k9k s LYS 485 Cb -0.10 0.13 -0.13 0.00 -1.51 0.00 0.00 37.83 36.23 3k9k s LYS 485 CO 0.01 -0.52 2.32 0.91 -0.36 0.00 0.00 175.35 177.71 3k9k n TRP 486 N 5.40 1.37 -2.73 4.03 5.03 -1.26 -1.96 117.44 127.31 3k9k n TRP 486 Ca -0.04 0.28 -0.40 0.00 3.03 0.00 0.00 57.50 60.36 3k9k n TRP 486 Cb 0.50 -2.52 -0.06 0.00 -1.03 0.00 0.00 31.31 28.21 3k9k n TRP 486 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 3k9k s ILE 487 N 8.56 4.14 0.19 -0.99 1.01 0.18 -4.85 121.20 129.44 3k9k s ILE 487 Ca 1.12 2.06 0.05 0.00 0.00 0.00 0.00 60.65 63.89 3k9k s ILE 487 Cb -0.81 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.31 3k9k s ILE 487 CO 0.45 0.45 0.16 -0.76 0.00 0.00 0.00 174.94 175.24 3k9k s LEU 488 N -0.92 3.84 -0.00 2.97 1.43 -1.26 0.01 118.68 124.75 3k9k s LEU 488 Ca 0.43 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 3k9k s LEU 488 Cb -0.26 -2.43 -0.23 0.00 0.03 0.00 0.00 46.19 43.31 3k9k s LEU 488 CO 0.32 0.04 1.10 1.88 0.23 0.00 0.00 176.35 179.92 3k9k h TYR 489 N 2.15 0.56 -3.55 0.29 -1.99 -1.88 -3.43 116.97 109.12 3k9k h TYR 489 Ca -0.48 -0.29 -0.68 0.00 2.00 0.00 0.00 58.73 59.28 3k9k h TYR 489 Cb 1.21 -0.07 -0.30 0.00 2.00 0.00 0.00 36.73 39.58 3k9k h TYR 489 CO 0.57 1.10 -0.83 0.34 -0.00 0.00 0.00 178.16 179.34 3k9k s ASP 490 N -6.66 3.49 -0.56 3.88 2.15 -1.26 -1.87 116.67 115.84 3k9k s ASP 490 Ca -0.14 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 52.47 3k9k s ASP 490 Cb 0.03 -1.30 0.33 0.00 -0.30 0.00 0.00 42.92 41.68 3k9k s ASP 490 CO 0.81 0.20 0.89 0.59 -0.17 0.00 0.00 175.17 177.49 3k9k n ASN 491 N 3.28 3.86 0.00 -0.34 4.13 0.25 -4.93 115.26 121.51 3k9k n ASN 491 Ca -0.18 -3.56 0.00 0.00 1.68 0.00 0.00 54.58 52.52 3k9k n ASN 491 Cb 0.53 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 3k9k n ASN 491 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3k9k n ARG 492 N -0.03 0.00 0.00 3.52 0.63 -1.26 0.45 116.66 119.97 3k9k n ARG 492 Ca 0.30 -0.27 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3k9k n ARG 492 Cb 0.43 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 33.04 3k9k n ARG 492 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3k9k n PRO 515 N 0.00 0.00 -2.60 -0.14 -0.04 -1.26 -4.95 135.00 126.01 3k9k n PRO 515 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 3k9k n PRO 515 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 3k9k n PRO 515 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3k9k s LYS 516 N -3.32 4.68 0.30 0.54 -0.14 -1.26 -5.03 119.74 115.50 3k9k s LYS 516 Ca 0.00 1.64 -0.17 0.00 -1.36 0.00 0.00 55.97 56.08 3k9k s LYS 516 Cb 0.00 -3.15 0.02 0.00 -1.68 0.00 0.00 37.83 33.02 3k9k s LYS 516 CO 0.00 0.30 0.67 -1.59 -0.76 0.00 0.00 175.35 173.97 3k9k s LYS 517 N -1.47 1.83 -0.13 1.68 -2.85 -1.26 -3.19 119.74 114.35 3k9k s LYS 517 Ca 0.45 -1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 3k9k s LYS 517 Cb -0.28 0.58 0.06 0.00 -2.06 0.00 0.00 37.83 36.13 3k9k s LYS 517 CO 0.36 -0.83 0.28 0.54 0.10 0.00 0.00 175.35 175.80 3k9k s VAL 518 N -3.58 -0.34 -0.05 1.79 0.11 0.10 -4.70 120.40 113.74 3k9k s VAL 518 Ca 0.15 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.14 3k9k s VAL 518 Cb -0.04 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3k9k s VAL 518 CO 0.09 0.10 1.03 -0.32 -3.33 0.00 0.00 175.10 172.67 3k9k s MET 519 N 2.16 4.47 0.03 1.54 1.75 -1.21 0.47 119.30 128.51 3k9k s MET 519 Ca -0.02 1.46 0.07 0.00 -1.25 0.00 0.00 55.69 55.95 3k9k s MET 519 Cb -0.12 -3.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.03 3k9k s MET 519 CO -0.09 -0.22 -0.19 0.54 -0.65 0.00 0.00 175.02 174.40 3k9k s VAL 520 N 1.58 2.69 -0.03 10.11 0.11 -0.83 -0.69 120.40 133.33 3k9k s VAL 520 Ca 0.51 -1.18 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 3k9k s VAL 520 Cb -0.21 -2.11 -0.01 0.00 -1.53 0.00 0.00 36.38 32.52 3k9k s VAL 520 CO 0.23 0.37 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.27 3k9k s THR 521 N -0.88 1.68 -0.05 5.04 2.01 -0.14 -0.52 115.64 122.77 3k9k s THR 521 Ca 0.14 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.26 3k9k s THR 521 Cb -0.10 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.02 3k9k s THR 521 CO 0.04 0.47 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.87 3k9k s ILE 522 N -0.34 0.73 -0.12 1.82 2.07 -1.06 -0.74 121.20 123.55 3k9k s ILE 522 Ca 0.04 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.01 3k9k s ILE 522 Cb -0.10 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 3k9k s ILE 522 CO 0.00 0.26 -0.03 0.26 -1.91 0.00 0.00 174.94 173.53 3k9k s TRP 523 N 0.77 3.05 0.34 3.50 0.52 0.84 -3.07 118.94 124.89 3k9k s TRP 523 Ca -0.12 -0.11 -0.14 0.00 0.02 0.00 0.00 56.10 55.76 3k9k s TRP 523 Cb -0.14 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.33 3k9k s TRP 523 CO 0.01 0.16 0.67 1.67 0.02 0.00 0.00 176.95 179.49 3k9k s TRP 524 N -0.15 0.28 0.25 -1.98 1.48 -0.18 -1.61 118.94 117.03 3k9k s TRP 524 Ca 0.03 -0.79 -0.19 0.00 -1.06 0.00 0.00 56.10 54.10 3k9k s TRP 524 Cb -0.13 0.55 0.02 0.00 -1.16 0.00 0.00 33.47 32.75 3k9k s TRP 524 CO 0.02 -1.35 0.62 -1.54 -4.06 0.00 0.00 176.95 170.64 3k9k s SER 525 N -3.07 -0.25 0.00 -2.66 1.04 -0.60 -0.83 113.70 107.34 3k9k s SER 525 Ca 0.18 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3k9k s SER 525 Cb -0.04 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3k9k s SER 525 CO 0.12 -1.21 0.85 0.00 0.98 0.00 0.00 173.24 173.98 3k9k n ALA 526 N -0.41 0.81 0.37 5.32 0.00 -1.26 -0.86 120.51 124.46 3k9k n ALA 526 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3k9k n ALA 526 Cb 0.61 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 3k9k n ALA 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k9k n ALA 527 N -1.35 3.48 0.00 0.00 0.00 -1.26 -2.78 120.51 118.60 3k9k n ALA 527 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3k9k n ALA 527 Cb 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3k9k n ALA 527 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9k n GLY 528 N 1.40 -1.24 3.78 0.00 0.00 -0.04 -4.90 105.19 104.18 3k9k n GLY 528 Ca -0.01 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 3k9k n GLY 528 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k9k s LEU 529 N 0.00 3.87 -0.08 0.99 2.96 -1.26 -1.55 118.68 123.61 3k9k s LEU 529 Ca 0.00 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3k9k s LEU 529 Cb 0.00 -4.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.17 3k9k s LEU 529 CO 0.00 -0.93 -0.08 -0.38 -1.32 0.00 0.00 176.35 173.64 3k9k n ILE 530 N -0.90 0.46 0.00 6.68 5.41 -0.63 -4.90 119.36 125.49 3k9k n ILE 530 Ca 0.09 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3k9k n ILE 530 Cb 0.51 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 3k9k n ILE 530 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3k9k n HIS 531 N -2.88 0.00 -4.35 1.39 -0.00 -1.05 -4.75 115.22 103.58 3k9k n HIS 531 Ca -0.15 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.39 3k9k n HIS 531 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.53 3k9k n HIS 531 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3k9k s TYR 532 N -0.28 1.66 -0.20 1.57 1.13 -1.26 -0.11 117.35 119.86 3k9k s TYR 532 Ca 0.00 -0.78 -0.24 0.00 -1.41 0.00 0.00 57.07 54.64 3k9k s TYR 532 Cb 0.00 -0.92 0.06 0.00 -1.10 0.00 0.00 41.96 40.01 3k9k s TYR 532 CO 0.00 0.13 0.64 -1.54 -2.51 0.00 0.00 175.55 172.27 3k9k s SER 533 N -3.33 -0.65 0.04 -0.18 1.04 0.08 -4.99 113.70 105.71 3k9k s SER 533 Ca 0.26 1.14 0.01 0.00 0.48 0.00 0.00 55.95 57.84 3k9k s SER 533 Cb 0.04 1.14 -0.04 0.00 0.10 0.00 0.00 66.02 67.25 3k9k s SER 533 CO 0.08 -0.30 0.12 -0.36 0.98 0.00 0.00 173.24 173.76 3k9k s PHE 534 N -0.01 3.34 -0.27 5.02 0.40 -1.26 -0.97 117.98 124.23 3k9k s PHE 534 Ca -0.03 0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 3k9k s PHE 534 Cb -0.04 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.80 3k9k s PHE 534 CO 0.03 0.56 -0.01 -1.17 0.70 0.00 0.00 175.22 175.33 3k9k s LEU 535 N -2.19 3.46 1.05 -0.37 2.96 0.13 -5.01 118.68 118.70 3k9k s LEU 535 Ca 0.29 -0.83 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 3k9k s LEU 535 Cb -0.12 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.86 3k9k s LEU 535 CO 0.21 -0.16 -0.08 -0.46 -1.32 0.00 0.00 176.35 174.54 3k9k n ASN 536 N 4.74 -2.61 -4.77 3.68 6.94 -1.26 -3.33 115.26 118.64 3k9k n ASN 536 Ca -0.16 0.06 -0.38 0.00 -0.02 0.00 0.00 54.58 54.08 3k9k n ASN 536 Cb 0.47 -0.98 -0.04 0.00 -2.36 0.00 0.00 39.78 36.87 3k9k n ASN 536 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 3k9k s PRO 537 N -3.26 4.37 0.00 -0.53 0.02 -1.26 -3.34 135.00 131.00 3k9k s PRO 537 Ca 0.53 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3k9k s PRO 537 Cb -0.13 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3k9k s PRO 537 CO 0.68 0.03 0.00 0.41 -0.33 0.00 0.00 177.00 177.79 3k9k n GLY 538 N 0.69 2.45 3.79 0.52 0.00 -1.26 -5.04 105.19 106.34 3k9k n GLY 538 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3k9k n GLY 538 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k9k s GLU 539 N -0.67 4.13 -0.07 1.61 2.56 -1.21 -5.08 118.70 119.96 3k9k s GLU 539 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 54.97 55.48 3k9k s GLU 539 Cb 0.00 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.80 3k9k s GLU 539 CO 0.00 0.49 -0.09 0.95 -0.56 0.00 0.00 175.26 176.05 3k9k s THR 540 N -0.49 3.51 0.12 -1.70 -4.23 -1.26 -4.90 115.64 106.68 3k9k s THR 540 Ca 0.26 -0.55 -0.31 0.00 -1.18 0.00 0.00 61.69 59.91 3k9k s THR 540 Cb -0.17 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.18 3k9k s THR 540 CO 0.14 0.59 1.32 -0.51 -0.54 0.00 0.00 174.62 175.61 3k9k s ILE 541 N -0.73 3.50 -0.00 2.99 1.10 -1.26 -5.03 121.20 121.77 3k9k s ILE 541 Ca 0.11 1.11 -0.01 0.00 -0.51 0.00 0.00 60.65 61.34 3k9k s ILE 541 Cb -0.11 -3.71 -0.04 0.00 0.15 0.00 0.00 42.46 38.75 3k9k s ILE 541 CO 0.01 0.10 0.12 0.42 -2.11 0.00 0.00 174.94 173.49 3k9k s THR 542 N 0.88 5.01 0.39 4.00 -4.23 -1.26 -4.75 115.64 115.67 3k9k s THR 542 Ca 0.61 -0.32 0.18 0.00 -1.18 0.00 0.00 61.69 60.98 3k9k s THR 542 Cb -0.35 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.56 3k9k s THR 542 CO 0.31 0.34 1.74 -1.28 -0.54 0.00 0.00 174.62 175.19 3k9k h SER 543 N 3.97 0.47 -0.29 3.99 0.87 -1.88 0.51 113.55 121.19 3k9k h SER 543 Ca -0.49 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 3k9k h SER 543 Cb 1.18 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3k9k h SER 543 CO 0.65 0.05 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.57 3k9k h GLU 544 N 0.39 0.57 -0.00 2.24 3.07 -1.93 0.53 114.58 119.45 3k9k h GLU 544 Ca 0.64 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3k9k h GLU 544 Cb 1.58 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.47 3k9k h GLU 544 CO -0.36 0.79 0.00 0.87 -1.40 0.00 0.00 179.01 178.91 3k9k h LYS 545 N 0.33 0.00 -0.68 2.33 1.79 -0.85 -0.32 116.57 119.17 3k9k h LYS 545 Ca 0.07 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.66 3k9k h LYS 545 Cb 0.59 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.16 3k9k h LYS 545 CO 0.03 0.09 0.25 -0.92 -1.08 0.00 0.00 179.45 177.82 3k9k h TYR 546 N -0.08 0.43 -0.62 -1.35 3.20 -0.17 0.44 116.97 118.83 3k9k h TYR 546 Ca 0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3k9k h TYR 546 Cb 0.08 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3k9k h TYR 546 CO -0.05 0.07 0.26 0.00 -1.64 0.00 0.00 178.16 176.80 3k9k h ALA 547 N 1.49 0.81 -0.71 1.82 0.00 -0.38 0.18 119.26 122.46 3k9k h ALA 547 Ca 0.36 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 3k9k h ALA 547 Cb 0.50 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3k9k h ALA 547 CO -0.36 -0.14 0.28 1.96 0.00 0.00 0.00 179.25 180.99 3k9k h GLN 548 N 0.47 1.06 -0.26 0.00 4.20 0.90 -1.60 115.11 119.88 3k9k h GLN 548 Ca 0.30 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.85 3k9k h GLN 548 Cb 0.33 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3k9k h GLN 548 CO -0.27 0.86 0.13 0.93 -0.67 0.00 0.00 178.83 179.81 3k9k h GLU 549 N 1.03 0.26 -0.44 1.46 4.39 0.12 -0.94 114.58 120.47 3k9k h GLU 549 Ca 0.24 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.99 3k9k h GLU 549 Cb 0.20 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 3k9k h GLU 549 CO -0.02 0.18 0.10 0.82 -1.16 0.00 0.00 179.01 178.92 3k9k h ILE 550 N 0.27 0.78 -0.85 3.13 2.04 -0.34 0.17 117.51 122.71 3k9k h ILE 550 Ca 0.10 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3k9k h ILE 550 Cb 0.03 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3k9k h ILE 550 CO -0.07 0.04 0.55 -0.78 0.00 0.00 0.00 178.15 177.89 3k9k h ASP 551 N 0.23 0.99 -0.07 1.72 1.82 -0.89 0.27 116.42 120.50 3k9k h ASP 551 Ca 0.21 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 3k9k h ASP 551 Cb 0.26 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.02 3k9k h ASP 551 CO -0.27 0.73 -0.12 -0.08 -1.61 0.00 0.00 179.24 177.89 3k9k h GLU 552 N 1.16 0.20 -0.51 0.28 4.81 -0.57 -2.67 114.58 117.29 3k9k h GLU 552 Ca 0.31 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3k9k h GLU 552 Cb -0.11 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.19 3k9k h GLU 552 CO -0.06 0.71 -0.05 1.98 -0.73 0.00 0.00 179.01 180.85 3k9k h MET 553 N -0.28 0.06 -0.78 1.92 4.05 -0.35 -2.28 114.93 117.27 3k9k h MET 553 Ca 0.00 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 3k9k h MET 553 Cb 0.70 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 3k9k h MET 553 CO 0.03 0.04 0.45 -0.97 0.23 0.00 0.00 176.91 176.69 3k9k h ASN 554 N 0.06 0.65 -0.56 1.39 -1.24 -0.47 -1.25 115.58 114.17 3k9k h ASN 554 Ca 0.26 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 3k9k h ASN 554 Cb 0.39 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 3k9k h ASN 554 CO -0.47 0.39 0.17 1.56 -1.29 0.00 0.00 177.43 177.79 3k9k h GLN 555 N 0.78 0.92 -0.18 6.67 4.20 -1.05 -2.17 115.11 124.28 3k9k h GLN 555 Ca 0.37 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3k9k h GLN 555 Cb 0.29 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3k9k h GLN 555 CO -0.22 0.81 -0.01 0.87 -0.67 0.00 0.00 178.83 179.61 3k9k h LYS 556 N 0.89 0.32 -0.82 1.46 1.57 -1.10 -2.53 116.57 116.35 3k9k h LYS 556 Ca 0.20 -0.10 0.19 0.00 -1.87 0.00 0.00 60.65 59.06 3k9k h LYS 556 Cb 0.28 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.42 3k9k h LYS 556 CO -0.01 0.54 -0.03 1.25 -0.57 0.00 0.00 179.45 180.63 3k9k h LEU 557 N 0.06 -0.46 -0.48 2.94 6.46 -0.82 0.14 115.31 123.15 3k9k h LEU 557 Ca 0.05 0.23 -0.07 0.00 -0.12 0.00 0.00 57.88 57.96 3k9k h LEU 557 Cb 0.40 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 3k9k h LEU 557 CO 0.01 -0.24 -0.34 0.06 -0.62 0.00 0.00 178.44 177.31 3k9k h GLN 558 N 0.06 0.00 -0.12 1.25 3.07 -1.24 0.31 115.11 118.44 3k9k h GLN 558 Ca 0.45 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.09 3k9k h GLN 558 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 3k9k h GLN 558 CO -0.76 0.34 -0.31 0.00 0.09 0.00 0.00 178.83 178.19 3k9k h ARG 559 N 0.00 0.42 -0.82 0.06 3.08 -0.67 1.14 114.38 117.59 3k9k h ARG 559 Ca -0.00 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.80 3k9k h ARG 559 Cb 1.08 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 3k9k h ARG 559 CO 0.04 0.90 0.54 -0.07 -1.07 0.00 0.00 179.97 180.31 3k9k h LEU 560 N 0.00 0.83 0.03 3.04 3.38 -0.42 -2.96 115.31 119.21 3k9k h LEU 560 Ca -0.00 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3k9k h LEU 560 Cb 0.92 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3k9k h LEU 560 CO 0.07 0.56 -1.64 1.56 0.09 0.00 0.00 178.44 179.07 3k9k h GLN 561 N 0.96 0.06 0.00 1.13 4.20 -0.34 -3.34 115.11 117.77 3k9k h GLN 561 Ca 0.34 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3k9k h GLN 561 Cb 0.13 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3k9k h GLN 561 CO -0.11 0.71 0.94 -0.11 -0.67 0.00 0.00 178.83 179.59 3k9k n LEU 562 N -3.18 0.00 0.11 1.46 7.94 0.39 0.13 117.00 123.85 3k9k n LEU 562 Ca -0.17 0.46 0.13 0.00 -1.11 0.00 0.00 56.01 55.32 3k9k n LEU 562 Cb 1.04 0.00 0.42 0.00 0.53 0.00 0.00 43.42 45.40 3k9k n LEU 562 CO 0.46 -0.46 0.88 0.00 -1.11 0.00 0.00 177.39 177.16 3k9k n ALA 563 N -1.44 2.18 -1.50 1.96 0.00 -1.26 -4.97 120.51 115.49 3k9k n ALA 563 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k9k n ALA 563 Cb 0.94 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3k9k n ALA 563 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k9k n LEU 564 N -2.29 0.00 -0.01 0.00 4.32 0.35 -5.09 117.00 114.28 3k9k n LEU 564 Ca 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.03 3k9k n LEU 564 Cb 0.40 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3k9k n LEU 564 CO 0.29 -0.01 -0.09 1.33 -1.22 0.00 0.00 177.39 177.69 3k9k n VAL 565 N -0.03 0.30 -4.00 4.08 0.24 -1.26 -4.91 118.33 112.74 3k9k n VAL 565 Ca 0.00 0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.30 3k9k n VAL 565 Cb 0.00 -1.48 -0.16 0.00 -1.47 0.00 0.00 33.84 30.73 3k9k n VAL 565 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k9k s ARG 566 N -1.33 2.11 0.27 7.34 6.06 -1.26 -5.09 118.95 127.06 3k9k s ARG 566 Ca -0.04 -0.75 -0.30 0.00 -2.50 0.00 0.00 55.73 52.14 3k9k s ARG 566 Cb 0.01 -2.31 -0.11 0.00 0.06 0.00 0.00 34.95 32.59 3k9k s ARG 566 CO 0.06 -0.37 1.61 1.03 -2.50 0.00 0.00 175.30 175.13 3k9k s ARG 567 N 1.43 4.13 0.33 5.12 3.00 -1.26 -5.02 118.95 126.67 3k9k s ARG 567 Ca 0.01 2.57 0.07 0.00 0.00 0.00 0.00 55.73 58.37 3k9k s ARG 567 Cb -0.15 -3.04 -0.02 0.00 0.00 0.00 0.00 34.95 31.74 3k9k s ARG 567 CO -0.09 -0.64 0.36 0.21 0.00 0.00 0.00 175.30 175.14 3k9k s LYS 568 N -0.20 2.94 0.05 3.54 2.20 -1.26 -5.08 119.74 121.94 3k9k s LYS 568 Ca 0.65 -1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3k9k s LYS 568 Cb -0.48 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 3k9k s LYS 568 CO 0.45 0.12 0.95 1.03 -0.36 0.00 0.00 175.35 177.54 3k9k s ARG 569 N -4.06 4.62 0.27 4.03 0.52 -1.26 -4.97 118.95 118.10 3k9k s ARG 569 Ca 0.42 1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 56.73 3k9k s ARG 569 Cb -0.08 -3.41 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 3k9k s ARG 569 CO 0.28 0.10 1.24 -2.14 0.02 0.00 0.00 175.30 174.80 3k9k s PRO 570 N 0.46 4.46 -0.32 3.54 0.02 -1.26 -4.92 135.00 136.98 3k9k s PRO 570 Ca 0.48 2.02 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 3k9k s PRO 570 Cb -0.22 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.19 3k9k s PRO 570 CO 0.28 -0.08 0.05 0.42 -0.33 0.00 0.00 177.00 177.34 3k9k s ILE 571 N -0.73 3.36 -0.01 2.83 1.01 0.77 -2.99 121.20 125.43 3k9k s ILE 571 Ca 0.50 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 3k9k s ILE 571 Cb -0.36 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3k9k s ILE 571 CO 0.44 -0.13 1.25 -0.22 0.00 0.00 0.00 174.94 176.28 3k9k s LEU 572 N 1.32 4.31 -0.24 2.97 2.96 -0.22 -0.68 118.68 129.10 3k9k s LEU 572 Ca -0.04 1.94 -0.04 0.00 -0.22 0.00 0.00 54.13 55.77 3k9k s LEU 572 Cb -0.20 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 3k9k s LEU 572 CO 0.01 -0.60 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.21 3k9k s LEU 573 N 2.01 3.14 0.32 -0.68 2.96 0.30 -1.86 118.68 124.87 3k9k s LEU 573 Ca 0.59 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.83 3k9k s LEU 573 Cb -0.28 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.69 3k9k s LEU 573 CO 0.25 -0.06 0.82 -1.38 -1.32 0.00 0.00 176.35 174.65 3k9k s HIS 574 N 1.48 0.02 -0.64 5.38 -3.43 -1.26 -3.01 115.29 113.83 3k9k s HIS 574 Ca 0.05 -0.59 -0.17 0.00 -0.80 0.00 0.00 55.06 53.54 3k9k s HIS 574 Cb -0.15 0.78 0.13 0.00 -1.43 0.00 0.00 32.58 31.91 3k9k s HIS 574 CO -0.02 -1.36 0.70 0.34 -2.00 0.00 0.00 174.74 172.40 3k9k s ASP 575 N -3.07 6.31 0.00 7.38 2.15 -1.26 -4.89 116.67 123.29 3k9k s ASP 575 Ca 0.15 -1.77 0.23 0.00 0.43 0.00 0.00 52.55 51.59 3k9k s ASP 575 Cb -0.05 -2.27 1.18 0.00 -0.30 0.00 0.00 42.92 41.48 3k9k s ASP 575 CO 0.09 -0.96 1.75 -0.46 -0.17 0.00 0.00 175.17 175.42 3k9k n ASN 576 N 5.72 0.00 0.21 -0.34 0.23 -1.26 -3.00 115.26 116.81 3k9k n ASN 576 Ca -0.04 -0.10 0.04 0.00 -0.53 0.00 0.00 54.58 53.95 3k9k n ASN 576 Cb 0.43 -0.26 0.44 0.00 -2.08 0.00 0.00 39.78 38.31 3k9k n ASN 576 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k9k h ALA 577 N 3.12 1.50 -1.82 -2.53 0.00 -1.95 -3.45 119.26 114.13 3k9k h ALA 577 Ca 0.00 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 3k9k h ALA 577 Cb 0.20 -0.04 0.23 0.00 0.00 0.00 0.00 17.79 18.18 3k9k h ALA 577 CO 0.00 0.35 -1.23 0.54 0.00 0.00 0.00 179.25 178.91 3k9k n ARG 578 N -4.15 -0.71 0.01 0.00 1.74 -1.16 -4.94 116.66 107.45 3k9k n ARG 578 Ca -0.02 -0.18 0.03 0.00 -0.77 0.00 0.00 57.85 56.90 3k9k n ARG 578 Cb 0.33 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3k9k n ARG 578 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3k9k n PRO 579 N -0.71 0.64 -0.00 5.56 -0.02 -1.26 -3.92 135.00 135.29 3k9k n PRO 579 Ca 0.02 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3k9k n PRO 579 Cb 0.60 -1.69 0.70 0.00 -0.02 0.00 0.00 33.50 33.09 3k9k n PRO 579 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3k9k n HIS 580 N -2.68 0.01 -2.99 6.00 1.44 -1.26 -4.24 115.22 111.50 3k9k n HIS 580 Ca -0.11 -0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.15 3k9k n HIS 580 Cb 0.79 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.88 3k9k n HIS 580 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3k9k s VAL 581 N -1.99 4.90 0.11 0.61 1.01 -1.25 -3.80 120.40 119.99 3k9k s VAL 581 Ca 0.37 -1.82 0.02 0.00 0.00 0.00 0.00 61.98 60.55 3k9k s VAL 581 Cb 0.17 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 3k9k s VAL 581 CO 0.28 -1.44 0.11 0.00 0.00 0.00 0.00 175.10 174.06 3k9k n ALA 582 N 6.04 0.14 -0.32 5.51 0.00 -1.26 -4.96 120.51 125.66 3k9k n ALA 582 Ca 0.23 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 3k9k n ALA 582 Cb 0.48 0.49 0.04 0.00 0.00 0.00 0.00 19.45 20.47 3k9k n ALA 582 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3k9k n GLN 583 N -0.20 -0.18 -0.08 0.00 -0.06 -1.26 -0.75 117.38 114.84 3k9k n GLN 583 Ca 0.02 1.29 -0.08 0.00 -2.00 0.00 0.00 57.00 56.23 3k9k n GLN 583 Cb 0.20 -1.91 -0.00 0.00 -4.06 0.00 0.00 30.24 24.46 3k9k n GLN 583 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3k9k h PRO 584 N 0.00 0.21 -0.05 3.69 0.11 -1.94 0.54 132.00 134.56 3k9k h PRO 584 Ca 0.30 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.41 3k9k h PRO 584 Cb 0.51 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3k9k h PRO 584 CO -0.83 0.14 -0.03 1.15 -0.21 0.00 0.00 178.00 178.22 3k9k h THR 585 N 0.22 0.91 -0.41 -1.15 2.02 -1.04 -1.81 112.91 111.65 3k9k h THR 585 Ca 0.13 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.35 3k9k h THR 585 Cb 0.10 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3k9k h THR 585 CO -0.14 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.86 3k9k h LEU 586 N -0.03 0.24 -0.76 2.58 3.38 -0.45 -1.78 115.31 118.49 3k9k h LEU 586 Ca 0.03 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3k9k h LEU 586 Cb 0.07 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3k9k h LEU 586 CO -0.06 0.18 0.38 -0.61 0.09 0.00 0.00 178.44 178.41 3k9k h GLN 587 N 0.37 0.60 -0.41 1.13 5.75 0.20 -0.92 115.11 121.82 3k9k h GLN 587 Ca 0.18 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 3k9k h GLN 587 Cb 0.13 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3k9k h GLN 587 CO -0.15 0.39 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.15 3k9k h LYS 588 N 0.61 0.76 -0.71 1.69 1.63 -0.52 0.30 116.57 120.33 3k9k h LYS 588 Ca 0.39 -0.27 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 3k9k h LYS 588 Cb 0.46 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 3k9k h LYS 588 CO -0.30 0.87 0.26 -0.07 -3.45 0.00 0.00 179.45 176.75 3k9k h LEU 589 N 0.58 1.00 0.68 5.20 3.38 -0.93 -1.00 115.31 124.22 3k9k h LEU 589 Ca 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3k9k h LEU 589 Cb 0.56 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3k9k h LEU 589 CO 0.03 0.92 -0.32 -1.13 0.09 0.00 0.00 178.44 178.03 3k9k h ASN 590 N 1.03 -0.77 -0.78 -0.43 -1.24 -0.97 0.15 115.58 112.58 3k9k h ASN 590 Ca 0.23 -0.01 0.22 0.00 0.71 0.00 0.00 56.30 57.46 3k9k h ASN 590 Cb 0.25 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 3k9k h ASN 590 CO -0.01 -0.42 0.77 -0.08 -1.29 0.00 0.00 177.43 176.39 3k9k h GLU 591 N -1.13 0.00 -0.02 6.67 4.81 -0.28 0.13 114.58 124.76 3k9k h GLU 591 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3k9k h GLU 591 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3k9k h GLU 591 CO 0.15 0.00 -0.17 1.28 -0.73 0.00 0.00 179.01 179.54 3k9k n LEU 592 N -3.66 2.58 -0.79 1.64 4.77 -0.39 -4.97 117.00 116.18 3k9k n LEU 592 Ca 0.16 -0.89 -0.04 0.00 -0.03 0.00 0.00 56.01 55.22 3k9k n LEU 592 Cb 1.04 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.13 3k9k n LEU 592 CO 0.29 0.44 0.01 0.61 -1.33 0.00 0.00 177.39 177.41 3k9k n GLY 593 N 1.37 0.52 3.61 -0.72 0.00 0.47 -5.02 105.19 105.43 3k9k n GLY 593 Ca 0.13 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3k9k n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9k s TYR 594 N -2.72 3.26 0.45 1.61 1.51 0.48 -4.65 117.35 117.28 3k9k s TYR 594 Ca 0.06 0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 56.28 3k9k s TYR 594 Cb -0.03 -2.51 -0.10 0.00 -0.11 0.00 0.00 41.96 39.21 3k9k s TYR 594 CO 0.08 -0.18 0.98 -2.00 -1.11 0.00 0.00 175.55 173.32 3k9k s GLU 595 N 1.88 4.10 -0.18 -0.62 2.12 -1.16 -4.57 118.70 120.26 3k9k s GLU 595 Ca 0.14 1.21 0.01 0.00 0.36 0.00 0.00 54.97 56.68 3k9k s GLU 595 Cb -0.16 -2.17 0.03 0.00 0.26 0.00 0.00 34.13 32.09 3k9k s GLU 595 CO 0.10 -0.16 -0.17 0.08 -0.54 0.00 0.00 175.26 174.57 3k9k s VAL 596 N -2.10 1.90 0.47 3.70 1.01 -1.26 -1.06 120.40 123.05 3k9k s VAL 596 Ca 0.63 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 3k9k s VAL 596 Cb -0.12 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 3k9k s VAL 596 CO 0.16 0.45 1.33 -0.22 0.00 0.00 0.00 175.10 176.82 3k9k s LEU 597 N 1.34 4.06 0.58 3.92 2.96 -0.78 -4.98 118.68 125.78 3k9k s LEU 597 Ca 0.03 2.71 -0.20 0.00 -0.22 0.00 0.00 54.13 56.46 3k9k s LEU 597 Cb -0.14 -4.06 -0.04 0.00 0.50 0.00 0.00 46.19 42.45 3k9k s LEU 597 CO -0.11 -1.16 1.26 -2.84 -1.32 0.00 0.00 176.35 172.18 3k9k s PRO 598 N -2.55 3.01 -0.13 0.98 0.02 -1.26 -4.84 135.00 130.24 3k9k s PRO 598 Ca 0.63 1.98 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 3k9k s PRO 598 Cb -0.39 -2.05 0.06 0.00 0.02 0.00 0.00 34.50 32.14 3k9k s PRO 598 CO 0.49 -1.21 0.29 -1.58 -0.33 0.00 0.00 177.00 174.65 3k9k s HIS 599 N -1.46 -0.44 0.30 6.54 2.46 -1.26 -5.04 115.29 116.39 3k9k s HIS 599 Ca 0.75 0.99 -0.29 0.00 0.47 0.00 0.00 55.06 56.98 3k9k s HIS 599 Cb -0.34 0.06 -0.10 0.00 -0.13 0.00 0.00 32.58 32.07 3k9k s HIS 599 CO 0.39 -0.32 1.13 -1.25 -2.47 0.00 0.00 174.74 172.21 3k9k s PRO 600 N 1.87 4.55 0.72 2.88 0.04 -1.26 -4.99 135.00 138.81 3k9k s PRO 600 Ca -0.04 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3k9k s PRO 600 Cb -0.11 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.33 3k9k s PRO 600 CO -0.09 0.11 0.99 -2.30 0.04 0.00 0.00 177.00 175.75 3k9k n PRO 601 N 1.01 0.53 -3.81 0.56 -0.02 -1.26 -3.73 135.00 128.28 3k9k n PRO 601 Ca -0.00 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 3k9k n PRO 601 Cb 0.45 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3k9k n PRO 601 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k9k n TYR 602 N -2.50 -1.78 -3.18 6.00 0.53 -1.26 -4.93 117.16 110.04 3k9k n TYR 602 Ca 0.13 0.59 -0.20 0.00 -1.02 0.00 0.00 57.90 57.40 3k9k n TYR 602 Cb 0.49 -3.61 -0.04 0.00 -1.03 0.00 0.00 39.34 35.15 3k9k n TYR 602 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3k9k n SER 603 N -2.81 0.94 0.27 7.72 7.64 -1.24 -4.92 113.62 121.22 3k9k n SER 603 Ca -0.20 -2.99 0.13 0.00 1.01 0.00 0.00 58.87 56.82 3k9k n SER 603 Cb 0.64 -0.62 0.79 0.00 -1.01 0.00 0.00 64.21 64.00 3k9k n SER 603 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3k9k h PRO 604 N 3.22 0.00 0.00 1.43 0.11 -1.91 -2.04 132.00 132.81 3k9k h PRO 604 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3k9k h PRO 604 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k9k h PRO 604 CO 0.51 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3k9k n ASP 605 N -3.74 0.00 -0.01 -2.05 5.75 -1.26 -2.67 116.55 112.58 3k9k n ASP 605 Ca -0.02 0.20 0.06 0.00 -0.01 0.00 0.00 54.79 55.03 3k9k n ASP 605 Cb 0.18 -0.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.86 3k9k n ASP 605 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3k9k n LEU 606 N -1.31 0.05 -4.60 -2.12 4.32 -0.77 -4.87 117.00 107.70 3k9k n LEU 606 Ca 0.04 -0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 3k9k n LEU 606 Cb 0.07 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.82 3k9k n LEU 606 CO 0.07 0.01 0.54 -0.76 -1.22 0.00 0.00 177.39 176.03 3k9k s LEU 607 N -3.78 4.12 0.18 2.23 1.43 -1.09 -4.96 118.68 116.81 3k9k s LEU 607 Ca -0.04 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 3k9k s LEU 607 Cb 0.08 -3.00 0.13 0.00 0.03 0.00 0.00 46.19 43.44 3k9k s LEU 607 CO 0.53 -0.62 1.67 -0.65 0.23 0.00 0.00 176.35 177.51 3k9k h PRO 608 N 8.25 0.04 -0.91 1.29 0.11 -1.85 -2.14 132.00 136.79 3k9k h PRO 608 Ca -0.25 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.98 3k9k h PRO 608 Cb 1.10 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 3k9k h PRO 608 CO 0.87 0.02 -0.45 1.15 -0.21 0.00 0.00 178.00 179.39 3k9k h THR 609 N 0.04 0.02 -0.20 -1.15 2.02 -1.93 1.00 112.91 112.72 3k9k h THR 609 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3k9k h THR 609 Cb 0.33 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3k9k h THR 609 CO -0.42 0.00 0.11 0.78 0.37 0.00 0.00 175.52 176.36 3k9k h ASN 610 N -0.05 0.24 1.30 4.18 -0.26 -1.70 0.19 115.58 119.48 3k9k h ASN 610 Ca 0.27 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 3k9k h ASN 610 Cb 0.54 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 3k9k h ASN 610 CO -0.91 0.24 -0.72 0.10 -1.06 0.00 0.00 177.43 175.08 3k9k h TYR 611 N 0.22 0.00 0.00 1.19 -0.00 -0.52 -3.28 116.97 114.59 3k9k h TYR 611 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.80 3k9k h TYR 611 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.78 3k9k h TYR 611 CO -0.04 0.19 -0.15 1.58 -0.00 0.00 0.00 178.16 179.74 3k9k n HIS 612 N -2.93 0.00 0.27 0.10 -0.00 0.33 -4.54 115.22 108.45 3k9k n HIS 612 Ca -0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 3k9k n HIS 612 Cb 0.63 -0.07 -0.05 0.00 -0.12 0.00 0.00 29.99 30.37 3k9k n HIS 612 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3k9k h VAL 613 N -0.15 0.00 -0.08 3.57 2.07 -1.46 -2.42 116.25 117.78 3k9k h VAL 613 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3k9k h VAL 613 Cb 0.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3k9k h VAL 613 CO 0.00 0.00 0.10 -0.26 0.02 0.00 0.00 177.57 177.43 3k9k h PHE 614 N -0.90 0.00 0.04 1.57 0.04 -0.82 -1.74 116.94 115.13 3k9k h PHE 614 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3k9k h PHE 614 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3k9k h PHE 614 CO 0.05 0.00 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.52 3k9k h LYS 615 N 0.00 -0.06 0.00 1.51 3.64 -1.60 -2.83 116.57 117.24 3k9k h LYS 615 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3k9k h LYS 615 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3k9k h LYS 615 CO -0.00 0.46 0.00 0.72 -2.27 0.00 0.00 179.45 178.36 3k9k n HIS 616 N -4.86 0.53 -0.03 1.91 8.25 -0.72 -2.72 115.22 117.58 3k9k n HIS 616 Ca -0.09 0.24 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 3k9k n HIS 616 Cb 0.27 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 3k9k n HIS 616 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3k9k h LEU 617 N 0.00 -0.05 -1.61 2.41 5.85 -1.26 -3.18 115.31 117.48 3k9k h LEU 617 Ca 0.00 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.38 3k9k h LEU 617 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3k9k h LEU 617 CO 0.00 0.65 0.60 0.78 -0.34 0.00 0.00 178.44 180.13 3k9k h ASN 618 N -0.98 0.00 0.49 1.25 4.21 -1.30 0.32 115.58 119.57 3k9k h ASN 618 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3k9k h ASN 618 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 3k9k h ASN 618 CO 0.01 0.00 -0.24 0.59 -1.29 0.00 0.00 177.43 176.50 3k9k n ASN 619 N -3.24 0.50 0.00 5.81 4.13 -1.16 -2.72 115.26 118.58 3k9k n ASN 619 Ca 0.06 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.97 3k9k n ASN 619 Cb 0.74 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 3k9k n ASN 619 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3k9k n PHE 620 N -1.16 0.00 0.17 3.10 7.35 0.86 -4.57 117.46 123.22 3k9k n PHE 620 Ca 0.10 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.88 3k9k n PHE 620 Cb 0.32 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.25 3k9k n PHE 620 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3k9k h LEU 621 N 0.00 0.00 -9.66 -2.13 3.38 -0.89 -3.48 115.31 102.54 3k9k h LEU 621 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3k9k h LEU 621 Cb 0.05 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.90 3k9k h LEU 621 CO 0.00 0.17 0.48 0.00 0.09 0.00 0.00 178.44 179.18 3k9k n GLN 622 N -3.08 1.98 -3.61 1.13 10.64 -1.10 -2.24 117.38 121.10 3k9k n GLN 622 Ca 0.02 0.70 -0.21 0.00 -1.83 0.00 0.00 57.00 55.68 3k9k n GLN 622 Cb 0.61 -2.27 0.05 0.00 -0.86 0.00 0.00 30.24 27.77 3k9k n GLN 622 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3k9k n GLY 623 N 1.24 -0.46 2.92 2.61 0.00 1.60 -4.93 105.19 108.17 3k9k n GLY 623 Ca 0.07 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 3k9k n GLY 623 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9k s LYS 624 N -5.71 0.44 -0.02 1.61 1.02 -0.95 -4.90 119.74 111.24 3k9k s LYS 624 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 55.98 3k9k s LYS 624 Cb -0.02 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 3k9k s LYS 624 CO 0.80 0.04 -0.07 0.50 -0.92 0.00 0.00 175.35 175.70 3k9k s ARG 625 N 0.22 0.67 0.04 1.68 3.52 -1.26 0.88 118.95 124.70 3k9k s ARG 625 Ca -0.02 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3k9k s ARG 625 Cb -0.06 -0.66 -0.02 0.00 -1.56 0.00 0.00 34.95 32.66 3k9k s ARG 625 CO -0.00 0.09 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.42 3k9k s PHE 626 N 0.15 0.85 -0.32 5.12 0.08 -0.78 -5.00 117.98 118.08 3k9k s PHE 626 Ca -0.02 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.73 3k9k s PHE 626 Cb -0.06 -0.51 0.51 0.00 -0.57 0.00 0.00 43.02 42.39 3k9k s PHE 626 CO -0.00 -0.02 1.49 0.72 -0.10 0.00 0.00 175.22 177.31 3k9k n HIS 627 N 1.82 1.37 -3.56 0.36 8.25 -1.26 -4.67 115.22 117.53 3k9k n HIS 627 Ca -0.20 -1.74 -0.15 0.00 -0.26 0.00 0.00 57.72 55.38 3k9k n HIS 627 Cb 0.55 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 3k9k n HIS 627 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k9k s ASN 628 N -2.55 -0.56 0.13 0.41 4.22 -1.26 -5.06 114.94 110.26 3k9k s ASN 628 Ca 0.47 0.71 -0.19 0.00 -2.14 0.00 0.00 52.86 51.70 3k9k s ASN 628 Cb 0.42 0.59 -0.04 0.00 1.28 0.00 0.00 41.25 43.50 3k9k s ASN 628 CO 0.00 -0.45 1.75 -0.61 -2.04 0.00 0.00 177.10 175.75 3k9k h GLN 629 N 3.17 0.18 -0.71 3.55 4.15 -1.97 -1.13 115.11 122.35 3k9k h GLN 629 Ca -0.25 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.36 3k9k h GLN 629 Cb 1.15 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 3k9k h GLN 629 CO 0.31 0.12 0.51 0.37 -1.93 0.00 0.00 178.83 178.20 3k9k h GLN 630 N 0.18 0.05 0.09 1.69 5.75 -1.99 -1.01 115.11 119.88 3k9k h GLN 630 Ca 0.09 -0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.33 3k9k h GLN 630 Cb 0.05 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3k9k h GLN 630 CO -0.08 0.03 -1.19 0.22 -2.65 0.00 0.00 178.83 175.15 3k9k h ASP 631 N 0.05 0.31 0.10 -0.69 -0.00 -1.64 -0.01 116.42 114.55 3k9k h ASP 631 Ca 0.34 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3k9k h ASP 631 Cb 1.29 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 3k9k h ASP 631 CO -0.02 1.27 -0.05 0.00 -0.00 0.00 0.00 179.24 180.44 3k9k h ALA 632 N 0.69 -1.00 -0.57 -0.78 0.00 -0.77 -2.65 119.26 114.17 3k9k h ALA 632 Ca -0.11 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3k9k h ALA 632 Cb 1.92 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 3k9k h ALA 632 CO 0.18 -0.99 -0.24 0.39 0.00 0.00 0.00 179.25 178.60 3k9k n GLU 633 N -2.37 -0.15 -0.27 0.00 1.02 -0.62 0.14 120.64 118.39 3k9k n GLU 633 Ca -0.02 0.88 0.17 0.00 -0.02 0.00 0.00 57.16 58.18 3k9k n GLU 633 Cb 0.05 -1.30 0.46 0.00 -0.02 0.00 0.00 31.44 30.64 3k9k n GLU 633 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3k9k h ASN 634 N 0.00 0.50 0.15 1.62 2.35 -0.96 -1.98 115.58 117.27 3k9k h ASN 634 Ca 0.18 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3k9k h ASN 634 Cb 0.33 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3k9k h ASN 634 CO -0.56 0.20 -0.07 0.00 -1.65 0.00 0.00 177.43 175.34 3k9k h ALA 635 N 1.61 -0.20 -0.13 -0.83 0.00 0.16 -1.88 119.26 117.99 3k9k h ALA 635 Ca 0.49 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.30 3k9k h ALA 635 Cb 1.08 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3k9k h ALA 635 CO -0.22 -0.50 -0.42 0.35 0.00 0.00 0.00 179.25 178.47 3k9k h PHE 636 N -0.45 -1.19 -0.78 0.00 3.57 -1.10 -1.23 116.94 115.77 3k9k h PHE 636 Ca -0.02 0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.69 3k9k h PHE 636 Cb 0.35 0.54 -0.11 0.00 2.79 0.00 0.00 35.95 39.53 3k9k h PHE 636 CO 0.01 -0.47 0.27 0.37 -2.23 0.00 0.00 178.31 176.25 3k9k h GLN 637 N -0.49 0.36 -0.74 1.11 4.15 -1.37 0.15 115.11 118.28 3k9k h GLN 637 Ca 0.08 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.56 3k9k h GLN 637 Cb 0.62 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 3k9k h GLN 637 CO -0.40 0.24 0.40 1.49 -1.93 0.00 0.00 178.83 178.63 3k9k h GLU 638 N 0.37 0.67 0.61 1.69 4.81 -0.40 -2.65 114.58 119.67 3k9k h GLU 638 Ca 0.44 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3k9k h GLU 638 Cb 0.74 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.98 3k9k h GLU 638 CO -0.47 0.44 -0.29 0.35 -0.73 0.00 0.00 179.01 178.31 3k9k h PHE 639 N 0.69 -0.75 0.00 0.92 3.57 0.26 -3.04 116.94 118.58 3k9k h PHE 639 Ca 0.35 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 3k9k h PHE 639 Cb 0.32 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3k9k h PHE 639 CO -0.08 -0.43 -0.00 -0.39 -2.23 0.00 0.00 178.31 175.17 3k9k h VAL 640 N -1.14 0.02 0.00 1.41 -1.51 -1.34 -0.93 116.25 112.76 3k9k h VAL 640 Ca -0.08 -0.18 -0.15 0.00 -1.23 0.00 0.00 66.70 65.05 3k9k h VAL 640 Cb 0.66 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 3k9k h VAL 640 CO 0.14 0.00 -0.75 -0.33 -1.23 0.00 0.00 177.57 175.40 3k9k h GLU 641 N 0.00 0.00 -0.79 5.19 5.08 -1.49 -3.09 114.58 119.48 3k9k h GLU 641 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3k9k h GLU 641 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3k9k h GLU 641 CO 0.00 0.70 0.05 -1.13 -1.00 0.00 0.00 179.01 177.63 3k9k n SER 642 N -3.27 3.71 -4.53 1.42 3.41 -0.36 -4.81 113.62 109.20 3k9k n SER 642 Ca 0.01 -2.59 -0.35 0.00 -0.26 0.00 0.00 58.87 55.67 3k9k n SER 642 Cb 0.83 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 3k9k n SER 642 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k9k s GLN 643 N -2.01 3.77 0.58 4.33 -1.52 -1.17 -5.07 119.66 118.57 3k9k s GLN 643 Ca 0.32 -0.45 -0.09 0.00 -1.95 0.00 0.00 55.36 53.19 3k9k s GLN 643 Cb 0.25 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.86 3k9k s GLN 643 CO 0.09 0.12 0.95 -1.54 -0.25 0.00 0.00 175.29 174.66 3k9k s SER 644 N 0.74 6.20 0.55 5.90 1.04 -1.26 -4.94 113.70 121.93 3k9k s SER 644 Ca 0.02 1.23 0.23 0.00 0.48 0.00 0.00 55.95 57.90 3k9k s SER 644 Cb -0.14 -2.36 1.47 0.00 0.10 0.00 0.00 66.02 65.09 3k9k s SER 644 CO 0.02 -0.79 2.12 0.71 0.98 0.00 0.00 173.24 176.27 3k9k h THR 645 N -0.14 0.74 -0.34 2.02 1.35 -1.97 0.13 112.91 114.70 3k9k h THR 645 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3k9k h THR 645 Cb 1.20 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3k9k h THR 645 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3k9k n ASP 646 N -4.23 1.98 0.08 5.36 5.68 -1.26 -2.37 116.55 121.79 3k9k n ASP 646 Ca 0.01 -1.95 -0.04 0.00 -0.50 0.00 0.00 54.79 52.31 3k9k n ASP 646 Cb 0.27 -0.23 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 3k9k n ASP 646 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3k9k h PHE 647 N 2.23 0.00 0.01 2.11 3.57 -1.10 -3.16 116.94 120.61 3k9k h PHE 647 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3k9k h PHE 647 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3k9k h PHE 647 CO 0.23 0.87 -0.48 1.88 -2.23 0.00 0.00 178.31 178.57 3k9k h TYR 648 N 0.00 0.04 -1.07 0.41 -1.99 -1.56 -3.16 116.97 109.64 3k9k h TYR 648 Ca -0.01 -0.03 0.35 0.00 2.00 0.00 0.00 58.73 61.04 3k9k h TYR 648 Cb 1.65 -0.00 -0.14 0.00 2.00 0.00 0.00 36.73 40.23 3k9k h TYR 648 CO 0.00 1.19 0.63 2.35 -0.00 0.00 0.00 178.16 182.33 3k9k h TRP 649 N -0.94 0.81 -0.03 4.88 2.91 -1.29 -0.49 115.95 121.80 3k9k h TRP 649 Ca -0.13 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.76 3k9k h TRP 649 Cb 1.15 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 3k9k h TRP 649 CO 0.21 -0.19 -0.73 1.15 -1.03 0.00 0.00 178.44 177.85 3k9k h THR 650 N 0.25 1.44 -0.09 2.65 2.02 -1.59 0.23 112.91 117.82 3k9k h THR 650 Ca 0.75 -2.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.58 3k9k h THR 650 Cb 1.91 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 70.52 3k9k h THR 650 CO -0.56 0.67 -0.28 1.23 0.37 0.00 0.00 175.52 176.95 3k9k h GLY 651 N 1.67 0.18 0.00 2.16 0.00 -1.06 -3.18 103.07 102.84 3k9k h GLY 651 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3k9k h GLY 651 CO 0.11 0.12 -0.36 -2.22 0.00 0.00 0.00 176.54 174.19 3k9k h ILE 652 N 0.15 0.15 0.00 2.60 1.08 -1.15 -3.35 117.51 116.99 3k9k h ILE 652 Ca 0.02 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3k9k h ILE 652 Cb 0.57 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3k9k h ILE 652 CO 0.04 0.05 0.00 0.59 -0.69 0.00 0.00 178.15 178.14 3k9k n ASN 653 N -4.66 2.08 0.00 1.72 3.02 0.78 -1.36 115.26 116.84 3k9k n ASN 653 Ca -0.07 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 3k9k n ASN 653 Cb 0.21 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3k9k n ASN 653 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3k9k n GLN 654 N 1.33 3.27 -0.27 3.52 7.27 -1.20 -4.77 117.38 126.52 3k9k n GLN 654 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3k9k n GLN 654 Cb 0.24 -0.57 0.13 0.00 2.41 0.00 0.00 30.24 32.44 3k9k n GLN 654 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3k9k h LEU 655 N 0.00 0.67 0.08 1.69 3.38 -1.39 -2.51 115.31 117.24 3k9k h LEU 655 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3k9k h LEU 655 Cb 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3k9k h LEU 655 CO 0.00 0.42 -0.47 0.40 0.09 0.00 0.00 178.44 178.88 3k9k h ILE 656 N 0.81 0.08 -0.07 1.22 2.04 -1.86 0.54 117.51 120.26 3k9k h ILE 656 Ca 0.35 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.23 3k9k h ILE 656 Cb 0.23 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3k9k h ILE 656 CO -0.20 0.00 0.07 0.77 0.00 0.00 0.00 178.15 178.79 3k9k h SER 657 N -0.68 0.00 0.87 1.72 4.64 -1.88 -0.10 113.55 118.11 3k9k h SER 657 Ca 0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.10 3k9k h SER 657 Cb 0.72 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3k9k h SER 657 CO -0.29 0.00 -1.16 0.03 -0.87 0.00 0.00 176.83 174.54 3k9k h ARG 658 N 0.00 0.02 0.16 4.77 3.08 -0.54 -2.79 114.38 119.08 3k9k h ARG 658 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3k9k h ARG 658 Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3k9k h ARG 658 CO -0.00 0.92 -0.08 -1.49 -1.07 0.00 0.00 179.97 178.25 3k9k h TRP 659 N 0.01 -0.20 -0.42 3.04 6.55 0.11 -3.09 115.95 121.95 3k9k h TRP 659 Ca -0.08 -0.00 0.08 0.00 0.95 0.00 0.00 58.89 59.83 3k9k h TRP 659 Cb 1.84 0.07 -0.09 0.00 -0.86 0.00 0.00 29.16 30.11 3k9k h TRP 659 CO 0.01 0.16 -0.39 0.37 -1.05 0.00 0.00 178.44 177.54 3k9k h GLN 660 N -0.59 -0.28 -0.96 0.49 5.75 -1.12 -0.94 115.11 117.46 3k9k h GLN 660 Ca -0.02 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 3k9k h GLN 660 Cb 0.45 0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.96 3k9k h GLN 660 CO 0.04 -0.19 0.57 0.87 -2.65 0.00 0.00 178.83 177.47 3k9k h LYS 661 N -0.29 0.77 -0.03 1.69 1.57 -1.55 1.05 116.57 119.78 3k9k h LYS 661 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3k9k h LYS 661 Cb 0.57 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3k9k h LYS 661 CO -0.57 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 178.82 3k9k h VAL 663 N 0.04 1.72 -0.08 0.00 2.07 0.14 1.16 116.25 121.30 3k9k h VAL 663 Ca 0.01 -2.39 0.02 0.00 0.82 0.00 0.00 66.70 65.17 3k9k h VAL 663 Cb 0.03 3.34 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3k9k h VAL 663 CO -0.00 0.63 0.12 0.44 0.02 0.00 0.00 177.57 178.78 3k9k h ASP 664 N -0.87 0.00 -0.40 0.57 3.32 0.32 0.44 116.42 119.79 3k9k h ASP 664 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3k9k h ASP 664 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3k9k h ASP 664 CO 0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 3k9k n ASN 666 N 0.12 -3.68 0.00 0.00 3.02 0.15 -2.55 115.26 112.31 3k9k n ASN 666 Ca 0.23 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3k9k n ASN 666 Cb 0.92 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 3k9k n ASN 666 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9k n GLY 667 N -1.30 0.97 3.77 7.41 0.00 0.40 -4.69 105.19 111.75 3k9k n GLY 667 Ca 0.03 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3k9k n GLY 667 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k9k s SER 668 N -2.56 4.34 0.92 1.61 1.04 -1.06 -4.11 113.70 113.89 3k9k s SER 668 Ca 0.00 -1.30 -0.11 0.00 0.48 0.00 0.00 55.95 55.02 3k9k s SER 668 Cb 0.00 -0.00 0.15 0.00 0.10 0.00 0.00 66.02 66.26 3k9k s SER 668 CO 0.00 -0.74 1.09 -0.31 0.98 0.00 0.00 173.24 174.26 3k9k s TYR 669 N -2.72 2.10 0.00 5.02 1.51 -1.26 -4.70 117.35 117.29 3k9k s TYR 669 Ca 0.29 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 3k9k s TYR 669 Cb 0.03 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 3k9k s TYR 669 CO 0.17 -2.61 0.42 1.97 -1.11 0.00 0.00 175.55 174.39 3k9k n PHE 670 N -4.05 0.00 -0.70 2.71 -1.74 -1.26 -5.00 117.46 107.42 3k9k n PHE 670 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 3k9k n PHE 670 Cb 0.54 0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.59 3k9k n PHE 670 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80