#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py3 n PRO 469 N 0.00 0.54 -2.79 1.47 -0.02 -1.26 -4.94 135.00 128.00 2py3 n PRO 469 Ca 0.00 0.19 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 2py3 n PRO 469 Cb 0.00 -1.36 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 2py3 n PRO 469 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2py3 s GLU 470 N -1.28 4.76 -0.43 -0.52 1.03 -1.26 -5.02 118.70 115.99 2py3 s GLU 470 Ca 0.62 1.41 0.05 0.00 0.03 0.00 0.00 54.97 57.07 2py3 s GLU 470 Cb -0.78 -3.18 0.17 0.00 -0.80 0.00 0.00 34.13 29.54 2py3 s GLU 470 CO 0.58 0.48 0.41 0.34 -1.33 0.00 0.00 175.26 175.75 2py3 s ASP 471 N -1.26 0.85 0.26 0.83 3.68 -1.26 -5.04 116.67 114.73 2py3 s ASP 471 Ca 0.42 -2.78 -0.11 0.00 2.13 0.00 0.00 52.55 52.21 2py3 s ASP 471 Cb -0.24 0.04 0.38 0.00 -1.45 0.00 0.00 42.92 41.65 2py3 s ASP 471 CO 0.30 -0.15 1.57 -0.65 0.13 0.00 0.00 175.17 176.36 2py3 h PRO 472 N 5.54 -0.01 -1.04 4.34 0.11 -1.95 -0.99 132.00 138.01 2py3 h PRO 472 Ca 0.22 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.61 2py3 h PRO 472 Cb 0.95 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 2py3 h PRO 472 CO 0.30 -0.00 0.70 1.57 -0.21 0.00 0.00 178.00 180.35 2py3 h LYS 473 N -0.01 0.23 0.00 1.05 2.10 -2.02 -1.95 116.57 115.97 2py3 h LYS 473 Ca 0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2py3 h LYS 473 Cb 0.67 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2py3 h LYS 473 CO -0.97 0.16 -1.29 0.91 -2.00 0.00 0.00 179.45 176.26 2py3 n TRP 474 N -4.45 0.00 -1.85 0.07 7.02 -0.46 -5.01 117.44 112.75 2py3 n TRP 474 Ca 0.24 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.33 2py3 n TRP 474 Cb 0.96 -0.20 0.03 0.00 -2.42 0.00 0.00 31.31 29.68 2py3 n TRP 474 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2py3 s GLU 475 N -2.85 3.35 -0.01 -0.99 2.56 -0.68 -1.33 118.70 118.75 2py3 s GLU 475 Ca -0.00 2.21 0.01 0.00 0.00 0.00 0.00 54.97 57.19 2py3 s GLU 475 Cb 0.11 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.88 2py3 s GLU 475 CO 0.67 -1.02 -0.05 0.12 -0.56 0.00 0.00 175.26 174.43 2py3 s PHE 476 N -1.31 0.47 0.12 5.30 5.36 -0.05 -4.74 117.98 123.14 2py3 s PHE 476 Ca 0.68 -0.09 -0.31 0.00 -0.96 0.00 0.00 56.93 56.25 2py3 s PHE 476 Cb -0.39 -0.34 -0.10 0.00 -0.34 0.00 0.00 43.02 41.85 2py3 s PHE 476 CO 0.48 -0.03 1.81 -2.14 -1.46 0.00 0.00 175.22 173.88 2py3 s PRO 477 N 0.07 4.14 0.34 10.12 0.02 -1.26 -4.40 135.00 144.03 2py3 s PRO 477 Ca -0.00 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.63 2py3 s PRO 477 Cb -0.04 -3.59 0.63 0.00 0.02 0.00 0.00 34.50 31.52 2py3 s PRO 477 CO -0.00 -0.83 1.93 0.00 -0.33 0.00 0.00 177.00 177.77 2py3 h ARG 478 N 8.55 0.64 0.00 5.54 3.08 -1.96 -1.91 114.38 128.32 2py3 h ARG 478 Ca -0.46 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2py3 h ARG 478 Cb 1.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2py3 h ARG 478 CO 0.95 0.55 0.00 -0.40 -1.07 0.00 0.00 179.97 179.99 2py3 n ASP 479 N -4.35 0.00 -0.83 7.04 5.75 -1.26 -2.34 116.55 120.56 2py3 n ASP 479 Ca 0.03 -0.62 0.10 0.00 -0.01 0.00 0.00 54.79 54.30 2py3 n ASP 479 Cb 0.16 -0.07 0.09 0.00 -1.03 0.00 0.00 41.12 40.27 2py3 n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2py3 n LYS 480 N -1.07 1.88 -4.42 0.11 4.76 -0.72 -4.92 118.16 113.78 2py3 n LYS 480 Ca 0.17 -1.74 -0.33 0.00 -2.87 0.00 0.00 58.31 53.54 2py3 n LYS 480 Cb 0.11 -1.40 -0.15 0.00 -1.84 0.00 0.00 35.03 31.75 2py3 n LYS 480 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2py3 s LEU 481 N -1.71 2.40 -0.37 -0.35 2.96 -0.99 -1.05 118.68 119.58 2py3 s LEU 481 Ca 0.24 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 2py3 s LEU 481 Cb 0.17 -1.55 0.07 0.00 0.50 0.00 0.00 46.19 45.38 2py3 s LEU 481 CO 0.26 0.06 0.15 -0.89 -1.32 0.00 0.00 176.35 174.60 2py3 s THR 482 N 0.96 3.67 0.40 3.68 2.01 0.08 -4.97 115.64 121.47 2py3 s THR 482 Ca -0.03 -1.43 -0.26 0.00 0.31 0.00 0.00 61.69 60.29 2py3 s THR 482 Cb -0.15 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 2py3 s THR 482 CO -0.03 -0.35 1.23 -0.76 -0.69 0.00 0.00 174.62 174.02 2py3 s LEU 483 N 1.33 4.21 0.00 4.42 1.43 -1.26 -1.14 118.68 127.67 2py3 s LEU 483 Ca 0.01 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2py3 s LEU 483 Cb -0.21 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2py3 s LEU 483 CO 0.01 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2py3 n GLY 484 N 0.67 5.44 3.75 -3.19 0.00 0.54 -4.92 105.19 107.48 2py3 n GLY 484 Ca 0.04 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 2py3 n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2py3 s LYS 485 N 4.43 3.13 0.47 1.61 0.00 -1.26 -4.53 119.74 123.59 2py3 s LYS 485 Ca 0.00 2.12 -0.23 0.00 0.00 0.00 0.00 55.97 57.86 2py3 s LYS 485 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 37.83 35.56 2py3 s LYS 485 CO 0.00 -1.16 1.21 -2.14 0.00 0.00 0.00 175.35 173.26 2py3 s PRO 486 N -2.97 3.69 0.21 1.78 0.02 -1.26 -0.48 135.00 135.99 2py3 s PRO 486 Ca 0.72 1.88 0.10 0.00 0.02 0.00 0.00 61.00 63.73 2py3 s PRO 486 Cb -0.38 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 2py3 s PRO 486 CO 0.44 -0.64 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.82 2py3 s LEU 487 N -3.02 2.77 0.00 -5.54 1.43 -0.07 -4.78 118.68 109.47 2py3 s LEU 487 Ca 0.64 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2py3 s LEU 487 Cb -0.31 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2py3 s LEU 487 CO 0.38 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.66 2py3 n GLY 488 N -0.11 1.56 0.00 -3.19 0.00 -1.26 -4.47 105.19 97.72 2py3 n GLY 488 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2py3 n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2py3 n GLY 493 N 0.00 -3.23 0.00 -0.02 0.00 -1.23 -5.12 105.19 95.59 2py3 n GLY 493 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2py3 n GLY 493 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2py3 n GLN 494 N 0.00 0.00 -5.12 1.61 7.27 -1.19 -3.53 117.38 116.43 2py3 n GLN 494 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 2py3 n GLN 494 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 2py3 n GLN 494 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2py3 s VAL 495 N 0.00 2.45 0.07 1.69 1.01 -1.26 -1.16 120.40 123.19 2py3 s VAL 495 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2py3 s VAL 495 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2py3 s VAL 495 CO 0.00 0.57 -0.06 0.68 0.00 0.00 0.00 175.10 176.29 2py3 s VAL 496 N -0.36 0.53 0.60 2.92 -7.23 0.25 -0.89 120.40 116.21 2py3 s VAL 496 Ca 0.03 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 2py3 s VAL 496 Cb -0.12 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2py3 s VAL 496 CO 0.02 -0.70 1.02 -0.32 -0.31 0.00 0.00 175.10 174.80 2py3 s MET 497 N -2.93 3.65 -0.08 4.82 -2.45 0.36 0.27 119.30 122.93 2py3 s MET 497 Ca 0.02 0.76 -0.31 0.00 -1.25 0.00 0.00 55.69 54.91 2py3 s MET 497 Cb -0.00 -2.10 0.12 0.00 1.25 0.00 0.00 34.83 34.10 2py3 s MET 497 CO -0.04 -0.52 1.02 0.00 1.05 0.00 0.00 175.02 176.54 2py3 s ALA 498 N -3.09 -1.93 -0.17 4.11 0.00 -0.48 -0.34 121.76 119.86 2py3 s ALA 498 Ca 0.55 1.27 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 2py3 s ALA 498 Cb -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2py3 s ALA 498 CO 0.51 -0.64 0.05 -1.21 0.00 0.00 0.00 175.76 174.47 2py3 s GLU 499 N -2.78 3.90 -0.27 0.00 0.41 -0.29 -0.01 118.70 119.66 2py3 s GLU 499 Ca 0.07 -0.35 0.03 0.00 -0.41 0.00 0.00 54.97 54.30 2py3 s GLU 499 Cb -0.01 -3.17 0.06 0.00 -1.78 0.00 0.00 34.13 29.23 2py3 s GLU 499 CO -0.07 0.31 -0.09 0.00 -0.49 0.00 0.00 175.26 174.91 2py3 s ALA 500 N 0.27 2.57 -0.21 5.21 0.00 0.90 -0.74 121.76 129.76 2py3 s ALA 500 Ca 0.03 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2py3 s ALA 500 Cb -0.12 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 2py3 s ALA 500 CO 0.00 -1.25 1.19 0.08 0.00 0.00 0.00 175.76 175.78 2py3 s VAL 501 N 1.09 4.41 -0.56 0.00 1.01 -0.21 -1.21 120.40 124.92 2py3 s VAL 501 Ca -0.07 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2py3 s VAL 501 Cb -0.20 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2py3 s VAL 501 CO -0.05 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2py3 n GLY 502 N 3.61 0.74 0.28 4.51 0.00 -0.59 -4.86 105.19 108.88 2py3 n GLY 502 Ca 0.13 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2py3 n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2py3 h ILE 503 N 0.00 0.79 -2.99 -0.61 2.10 -1.78 -3.24 117.51 111.78 2py3 h ILE 503 Ca -0.11 0.00 -0.73 0.00 1.08 0.00 0.00 64.86 65.11 2py3 h ILE 503 Cb 0.55 0.99 -0.21 0.00 -1.09 0.00 0.00 36.82 37.06 2py3 h ILE 503 CO 0.16 0.00 0.44 -0.62 -1.08 0.00 0.00 178.15 177.05 2py3 s ASP 504 N -6.66 6.58 0.54 2.19 -1.08 -1.26 -4.93 116.67 112.04 2py3 s ASP 504 Ca -0.05 -2.13 0.44 0.00 -0.52 0.00 0.00 52.55 50.29 2py3 s ASP 504 Cb 0.16 -2.32 1.51 0.00 -1.46 0.00 0.00 42.92 40.82 2py3 s ASP 504 CO 0.62 -0.91 1.44 0.29 0.52 0.00 0.00 175.17 177.12 2py3 n LYS 505 N 5.65 0.00 0.06 4.34 5.02 -1.22 0.11 118.16 132.11 2py3 n LYS 505 Ca 0.13 1.02 0.13 0.00 -2.02 0.00 0.00 58.31 57.57 2py3 n LYS 505 Cb 0.47 -2.38 0.47 0.00 -0.02 0.00 0.00 35.03 33.57 2py3 n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2py3 n ASP 506 N -3.70 0.47 -2.95 4.39 8.00 -1.26 -3.66 116.55 117.83 2py3 n ASP 506 Ca 0.39 0.49 -0.24 0.00 0.71 0.00 0.00 54.79 56.14 2py3 n ASP 506 Cb 1.84 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 42.33 2py3 n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2py3 n LYS 507 N -1.92 2.62 -0.35 -1.24 4.76 0.29 -4.97 118.16 117.36 2py3 n LYS 507 Ca 0.06 -4.41 0.34 0.00 -2.87 0.00 0.00 58.31 51.43 2py3 n LYS 507 Cb 0.39 -2.07 0.52 0.00 -1.84 0.00 0.00 35.03 32.03 2py3 n LYS 507 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2py3 n PRO 508 N -0.13 0.01 0.00 1.97 -0.02 -1.23 -0.26 135.00 135.34 2py3 n PRO 508 Ca 0.29 0.98 0.01 0.00 -2.02 0.00 0.00 63.50 62.76 2py3 n PRO 508 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2py3 n PRO 508 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2py3 n LYS 509 N -3.34 1.44 -2.56 -0.52 4.01 -1.26 -3.90 118.16 112.04 2py3 n LYS 509 Ca 0.28 -0.44 -0.43 0.00 -0.51 0.00 0.00 58.31 57.22 2py3 n LYS 509 Cb 1.59 -0.90 -0.02 0.00 -0.51 0.00 0.00 35.03 35.19 2py3 n LYS 509 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2py3 s GLU 510 N -0.48 4.28 0.40 1.97 -1.05 0.64 -4.61 118.70 119.86 2py3 s GLU 510 Ca 0.02 1.51 -0.24 0.00 -0.15 0.00 0.00 54.97 56.10 2py3 s GLU 510 Cb 0.02 -3.66 -0.09 0.00 -0.44 0.00 0.00 34.13 29.96 2py3 s GLU 510 CO 0.04 -0.59 1.09 0.00 0.95 0.00 0.00 175.26 176.75 2py3 s ALA 511 N 3.01 3.10 -0.03 -0.84 0.00 -1.26 -1.55 121.76 124.19 2py3 s ALA 511 Ca 0.50 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2py3 s ALA 511 Cb -0.19 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2py3 s ALA 511 CO 0.13 -0.33 -0.04 0.08 0.00 0.00 0.00 175.76 175.60 2py3 s VAL 512 N -1.57 0.44 -0.04 0.00 1.01 -0.35 -4.92 120.40 114.98 2py3 s VAL 512 Ca 0.58 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2py3 s VAL 512 Cb -0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2py3 s VAL 512 CO 0.31 0.18 1.22 -0.89 0.00 0.00 0.00 175.10 175.92 2py3 s THR 513 N 0.62 4.20 0.31 3.92 2.01 -1.26 -0.07 115.64 125.36 2py3 s THR 513 Ca -0.07 1.53 0.06 0.00 0.31 0.00 0.00 61.69 63.51 2py3 s THR 513 Cb -0.11 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2py3 s THR 513 CO -0.00 0.01 0.21 1.33 -0.69 0.00 0.00 174.62 175.47 2py3 n VAL 514 N 4.56 0.00 -4.96 3.82 0.24 0.99 -4.35 118.33 118.63 2py3 n VAL 514 Ca 0.11 -2.09 -0.30 0.00 -2.04 0.00 0.00 64.34 60.02 2py3 n VAL 514 Cb 0.46 0.96 -0.15 0.00 -1.47 0.00 0.00 33.84 33.64 2py3 n VAL 514 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2py3 s ALA 515 N -3.10 2.28 -0.08 2.33 0.00 -0.40 -1.39 121.76 121.40 2py3 s ALA 515 Ca 0.29 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2py3 s ALA 515 Cb 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2py3 s ALA 515 CO 0.21 0.54 -0.09 0.08 0.00 0.00 0.00 175.76 176.49 2py3 s VAL 516 N -0.78 1.02 -0.16 0.00 1.01 0.14 -0.94 120.40 120.69 2py3 s VAL 516 Ca 0.12 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2py3 s VAL 516 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2py3 s VAL 516 CO 0.02 0.35 0.05 -0.75 0.00 0.00 0.00 175.10 174.77 2py3 s LYS 517 N 1.16 3.76 0.26 2.72 2.20 -0.10 -0.59 119.74 129.15 2py3 s LYS 517 Ca -0.06 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.15 2py3 s LYS 517 Cb -0.14 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 2py3 s LYS 517 CO -0.02 0.39 0.37 0.00 -0.36 0.00 0.00 175.35 175.73 2py3 s MET 518 N 0.04 1.55 0.47 4.03 0.23 -0.31 -1.15 119.30 124.15 2py3 s MET 518 Ca 0.05 -1.52 -0.21 0.00 -1.03 0.00 0.00 55.69 52.99 2py3 s MET 518 Cb -0.12 0.40 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 2py3 s MET 518 CO 0.01 -0.61 1.02 -0.51 -2.03 0.00 0.00 175.02 172.90 2py3 s LEU 519 N -3.13 3.89 0.71 0.18 1.43 -1.26 -3.14 118.68 117.35 2py3 s LEU 519 Ca 0.30 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 2py3 s LEU 519 Cb 0.02 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.74 2py3 s LEU 519 CO 0.13 -0.68 1.08 -0.54 0.23 0.00 0.00 176.35 176.58 2py3 s LYS 520 N -3.17 2.68 0.40 1.70 1.02 -1.26 -4.81 119.74 116.29 2py3 s LYS 520 Ca 0.66 0.31 0.15 0.00 0.02 0.00 0.00 55.97 57.10 2py3 s LYS 520 Cb -0.15 -2.05 0.82 0.00 -0.52 0.00 0.00 37.83 35.93 2py3 s LYS 520 CO 0.19 -1.10 1.86 0.22 -0.92 0.00 0.00 175.35 175.60 2py3 h ASP 521 N -0.67 0.00 -0.81 2.83 -0.00 -2.03 -2.74 116.42 113.00 2py3 h ASP 521 Ca -0.45 0.00 -0.49 0.00 -0.00 0.00 0.00 57.03 56.09 2py3 h ASP 521 Cb 1.27 0.00 -0.27 0.00 -0.00 0.00 0.00 39.33 40.33 2py3 h ASP 521 CO 0.64 0.33 0.37 -0.90 -0.00 0.00 0.00 179.24 179.68 2py3 n ASP 522 N -4.03 4.78 -4.76 2.28 3.85 -1.26 -5.02 116.55 112.39 2py3 n ASP 522 Ca -0.02 -3.73 -0.34 0.00 -0.71 0.00 0.00 54.79 49.99 2py3 n ASP 522 Cb 0.38 -0.78 0.03 0.00 -1.35 0.00 0.00 41.12 39.41 2py3 n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2py3 s ALA 523 N -3.49 2.52 0.49 2.12 0.00 -1.04 -5.06 121.76 117.32 2py3 s ALA 523 Ca 0.56 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.37 2py3 s ALA 523 Cb 0.46 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 20.25 2py3 s ALA 523 CO 0.04 -1.14 0.67 0.95 0.00 0.00 0.00 175.76 176.27 2py3 s THR 524 N -1.96 2.59 0.18 0.00 -4.23 -1.26 -4.99 115.64 105.97 2py3 s THR 524 Ca 0.72 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.11 2py3 s THR 524 Cb -0.24 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.09 2py3 s THR 524 CO 0.35 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.07 2py3 h GLU 525 N 0.43 1.01 -0.30 3.99 4.81 -2.00 -2.54 114.58 119.98 2py3 h GLU 525 Ca -0.35 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 2py3 h GLU 525 Cb 1.28 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2py3 h GLU 525 CO 0.43 0.87 0.06 -0.22 -0.73 0.00 0.00 179.01 179.42 2py3 h LYS 526 N 0.94 0.43 -0.82 1.92 1.63 -1.99 -1.14 116.57 117.54 2py3 h LYS 526 Ca 0.21 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2py3 h LYS 526 Cb 0.28 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 2py3 h LYS 526 CO -0.01 0.41 0.35 -0.44 -3.45 0.00 0.00 179.45 176.31 2py3 h ASP 527 N 0.42 1.11 0.06 4.20 3.32 -1.85 0.09 116.42 123.77 2py3 h ASP 527 Ca 0.10 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2py3 h ASP 527 Cb 0.19 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2py3 h ASP 527 CO -0.00 0.97 -0.03 0.25 -1.72 0.00 0.00 179.24 178.71 2py3 h LEU 528 N 1.18 -0.06 -1.86 1.55 5.85 -1.07 -1.66 115.31 119.25 2py3 h LEU 528 Ca 0.27 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2py3 h LEU 528 Cb 0.19 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2py3 h LEU 528 CO -0.03 0.36 0.21 0.77 -0.34 0.00 0.00 178.44 179.41 2py3 h SER 529 N -0.51 0.15 -0.27 1.25 4.64 -1.12 -1.06 113.55 116.64 2py3 h SER 529 Ca -0.01 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2py3 h SER 529 Cb 0.45 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2py3 h SER 529 CO 0.01 0.10 -0.16 0.44 -0.87 0.00 0.00 176.83 176.35 2py3 h ASP 530 N 0.18 0.60 -0.67 4.97 3.32 -0.82 -1.23 116.42 122.77 2py3 h ASP 530 Ca 0.13 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2py3 h ASP 530 Cb 0.31 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2py3 h ASP 530 CO -0.02 0.90 0.36 0.25 -1.72 0.00 0.00 179.24 179.01 2py3 h LEU 531 N 0.31 0.84 -0.06 1.55 5.85 -0.30 0.60 115.31 124.10 2py3 h LEU 531 Ca 0.06 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2py3 h LEU 531 Cb 0.69 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2py3 h LEU 531 CO 0.05 0.70 0.03 0.58 -0.34 0.00 0.00 178.44 179.45 2py3 h VAL 532 N 0.92 1.12 -0.74 1.05 2.07 -1.20 -1.69 116.25 117.78 2py3 h VAL 532 Ca 0.24 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.49 2py3 h VAL 532 Cb 0.05 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2py3 h VAL 532 CO -0.04 0.10 0.40 -1.28 0.02 0.00 0.00 177.57 176.77 2py3 h SER 533 N -0.04 0.55 -0.45 0.57 0.87 -0.91 0.50 113.55 114.65 2py3 h SER 533 Ca 0.02 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2py3 h SER 533 Cb 0.13 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2py3 h SER 533 CO -0.00 0.33 0.28 -0.08 -0.53 0.00 0.00 176.83 176.83 2py3 h GLU 534 N 0.68 0.60 0.07 2.24 4.81 -0.61 0.30 114.58 122.67 2py3 h GLU 534 Ca 0.35 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2py3 h GLU 534 Cb 0.32 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2py3 h GLU 534 CO -0.24 0.42 -0.03 1.98 -0.73 0.00 0.00 179.01 180.40 2py3 h MET 535 N 0.60 -0.09 -0.98 1.92 4.05 -0.41 -1.63 114.93 118.38 2py3 h MET 535 Ca 0.16 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2py3 h MET 535 Cb -0.04 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 2py3 h MET 535 CO -0.03 0.05 0.65 0.93 0.23 0.00 0.00 176.91 178.73 2py3 h GLU 536 N -0.21 1.26 -0.65 0.39 4.39 -0.73 -1.41 114.58 117.62 2py3 h GLU 536 Ca -0.01 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2py3 h GLU 536 Cb 0.18 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2py3 h GLU 536 CO 0.02 0.83 0.24 1.98 -1.16 0.00 0.00 179.01 180.92 2py3 h MET 537 N 1.29 0.98 -0.04 2.33 4.05 -0.77 -2.25 114.93 120.53 2py3 h MET 537 Ca 0.37 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 2py3 h MET 537 Cb -0.09 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 2py3 h MET 537 CO -0.10 0.84 -0.29 0.52 0.23 0.00 0.00 176.91 178.11 2py3 h MET 538 N 0.92 0.08 -0.46 0.39 2.86 -0.73 -1.08 114.93 116.91 2py3 h MET 538 Ca 0.21 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2py3 h MET 538 Cb 0.24 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2py3 h MET 538 CO -0.01 0.37 -0.04 0.87 1.06 0.00 0.00 176.91 179.15 2py3 h LYS 539 N 0.07 0.83 0.06 1.72 1.57 -0.76 -3.29 116.57 116.77 2py3 h LYS 539 Ca 0.01 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.27 2py3 h LYS 539 Cb 0.56 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2py3 h LYS 539 CO 0.04 0.91 -1.09 0.52 -0.57 0.00 0.00 179.45 179.26 2py3 h MET 540 N 0.67 0.14 -0.78 3.15 2.86 -1.10 -3.34 114.93 116.53 2py3 h MET 540 Ca 0.12 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2py3 h MET 540 Cb 0.56 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 2py3 h MET 540 CO 0.03 1.09 0.51 0.82 1.06 0.00 0.00 176.91 180.42 2py3 h ILE 541 N 0.05 1.00 0.00 -1.22 2.04 -1.27 -3.49 117.51 114.62 2py3 h ILE 541 Ca -0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2py3 h ILE 541 Cb 1.82 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2py3 h ILE 541 CO 0.16 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.07 2py3 n GLY 542 N -1.44 -0.17 3.86 5.37 0.00 -1.25 -4.97 105.19 106.59 2py3 n GLY 542 Ca 0.12 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2py3 n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 s LYS 543 N -1.06 3.78 -0.17 1.61 -0.14 -1.26 -5.01 119.74 117.48 2py3 s LYS 543 Ca 0.00 0.21 -0.28 0.00 -1.36 0.00 0.00 55.97 54.54 2py3 s LYS 543 Cb 0.00 -3.00 0.08 0.00 -1.68 0.00 0.00 37.83 33.23 2py3 s LYS 543 CO 0.00 0.56 0.75 -1.58 -0.76 0.00 0.00 175.35 174.32 2py3 s HIS 544 N -1.39 -0.68 0.28 3.18 5.04 -1.26 -5.05 115.29 115.40 2py3 s HIS 544 Ca 0.33 1.44 0.02 0.00 -1.54 0.00 0.00 55.06 55.31 2py3 s HIS 544 Cb -0.14 0.35 0.65 0.00 0.04 0.00 0.00 32.58 33.48 2py3 s HIS 544 CO 0.18 -0.46 1.71 -0.22 -2.34 0.00 0.00 174.74 173.61 2py3 h LYS 545 N 3.93 0.44 -0.89 2.88 3.64 -1.98 -2.61 116.57 121.98 2py3 h LYS 545 Ca -0.27 -0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 58.63 2py3 h LYS 545 Cb 1.15 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 32.61 2py3 h LYS 545 CO 0.21 0.29 0.52 0.09 -2.27 0.00 0.00 179.45 178.30 2py3 n ASN 546 N -5.01 3.67 -3.90 4.20 4.13 -1.26 -4.82 115.26 112.27 2py3 n ASN 546 Ca 0.20 -3.60 -0.21 0.00 1.68 0.00 0.00 54.58 52.65 2py3 n ASN 546 Cb 0.58 -0.80 -0.17 0.00 -1.54 0.00 0.00 39.78 37.85 2py3 n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2py3 s ILE 547 N -3.27 0.63 0.31 2.41 1.01 -0.99 -1.32 121.20 119.99 2py3 s ILE 547 Ca 0.55 -0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 2py3 s ILE 547 Cb 0.47 -0.66 -0.13 0.00 0.01 0.00 0.00 42.46 42.15 2py3 s ILE 547 CO 0.10 0.26 1.18 0.00 0.00 0.00 0.00 174.94 176.48 2py3 n ILE 548 N 4.21 1.89 -4.05 2.92 0.00 -0.43 -4.62 119.36 119.28 2py3 n ILE 548 Ca -0.21 -0.47 -0.36 0.00 0.00 0.00 0.00 62.75 61.71 2py3 n ILE 548 Cb 0.51 -1.31 -0.08 0.00 0.00 0.00 0.00 39.64 38.76 2py3 n ILE 548 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2py3 s ASN 549 N -0.36 5.87 -0.01 9.51 4.22 -1.26 -4.98 114.94 127.93 2py3 s ASN 549 Ca 0.58 0.28 -0.30 0.00 -2.14 0.00 0.00 52.86 51.28 2py3 s ASN 549 Cb -0.64 -1.86 -0.03 0.00 1.28 0.00 0.00 41.25 40.00 2py3 s ASN 549 CO 0.60 0.34 1.04 -0.22 -2.04 0.00 0.00 177.10 176.82 2py3 s LEU 550 N -0.63 4.35 -0.19 3.54 2.96 -1.26 -1.07 118.68 126.38 2py3 s LEU 550 Ca 0.12 1.72 0.12 0.00 -0.22 0.00 0.00 54.13 55.87 2py3 s LEU 550 Cb -0.12 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 2py3 s LEU 550 CO 0.02 -0.35 -0.00 0.18 -1.32 0.00 0.00 176.35 174.88 2py3 n LEU 551 N 4.14 0.74 0.00 -0.68 4.77 0.77 -4.91 117.00 121.83 2py3 n LEU 551 Ca 0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2py3 n LEU 551 Cb 0.49 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2py3 n LEU 551 CO 0.53 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2py3 n GLY 552 N 2.04 -1.41 3.56 -0.72 0.00 -1.02 -5.03 105.19 102.61 2py3 n GLY 552 Ca -0.31 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 2py3 n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2py3 s ALA 553 N -1.26 -1.82 -0.40 4.61 0.00 -0.44 -0.83 121.76 121.62 2py3 s ALA 553 Ca 0.00 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.41 2py3 s ALA 553 Cb 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.77 2py3 s ALA 553 CO 0.00 -0.34 0.22 0.00 0.00 0.00 0.00 175.76 175.64 2py3 n THR 555 N 4.85 0.30 -4.65 0.00 -2.24 -1.26 -1.30 114.28 109.97 2py3 n THR 555 Ca -0.09 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 2py3 n THR 555 Cb 0.43 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 2py3 n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2py3 s GLN 556 N -0.41 1.81 -1.15 -0.78 -1.52 -1.26 -4.72 119.66 111.63 2py3 s GLN 556 Ca 0.03 -1.13 -0.32 0.00 -1.95 0.00 0.00 55.36 51.99 2py3 s GLN 556 Cb 0.02 -2.05 0.04 0.00 -0.22 0.00 0.00 33.01 30.80 2py3 s GLN 556 CO 0.02 0.50 0.65 -0.25 -0.25 0.00 0.00 175.29 175.97 2py3 n ASP 557 N 1.40 -4.03 0.00 5.90 8.00 -1.26 -4.84 116.55 121.72 2py3 n ASP 557 Ca -0.17 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2py3 n ASP 557 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2py3 n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2py3 n GLY 558 N -2.04 -0.13 3.77 0.44 0.00 -1.26 -5.12 105.19 100.84 2py3 n GLY 558 Ca -0.13 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2py3 n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2py3 s PRO 559 N -1.84 4.33 0.11 1.61 0.04 -1.26 -4.90 135.00 133.09 2py3 s PRO 559 Ca 0.00 2.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 2py3 s PRO 559 Cb 0.00 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2py3 s PRO 559 CO 0.00 -0.20 1.69 -1.17 0.04 0.00 0.00 177.00 177.35 2py3 s LEU 560 N -1.84 4.38 -0.14 -3.56 2.96 -1.26 -4.77 118.68 114.45 2py3 s LEU 560 Ca 0.49 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 57.03 2py3 s LEU 560 Cb -0.40 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.74 2py3 s LEU 560 CO 0.52 -0.91 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.14 2py3 s TYR 561 N 2.26 2.43 -0.34 5.38 2.02 -0.42 -4.40 117.35 124.28 2py3 s TYR 561 Ca 0.75 -1.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 2py3 s TYR 561 Cb -0.43 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 2py3 s TYR 561 CO 0.33 -0.60 0.12 0.08 -1.57 0.00 0.00 175.55 173.91 2py3 s VAL 562 N 0.98 3.99 -0.22 0.71 1.01 -0.30 -1.38 120.40 125.21 2py3 s VAL 562 Ca -0.04 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 2py3 s VAL 562 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2py3 s VAL 562 CO -0.04 -0.13 0.48 -0.63 0.00 0.00 0.00 175.10 174.78 2py3 s ILE 563 N 1.46 5.12 0.21 2.22 1.01 -0.01 -0.92 121.20 130.28 2py3 s ILE 563 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 60.65 61.56 2py3 s ILE 563 Cb -0.19 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2py3 s ILE 563 CO 0.04 0.17 -0.06 0.68 0.00 0.00 0.00 174.94 175.77 2py3 s VAL 564 N 1.73 1.22 0.42 2.92 -7.23 -0.12 -0.16 120.40 119.17 2py3 s VAL 564 Ca 0.22 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.05 2py3 s VAL 564 Cb -0.15 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 2py3 s VAL 564 CO 0.09 -0.49 1.40 0.61 -0.31 0.00 0.00 175.10 176.40 2py3 n GLY 565 N -0.36 0.91 3.70 2.32 0.00 -0.23 -1.27 105.19 110.26 2py3 n GLY 565 Ca -0.07 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2py3 n GLY 565 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2py3 s TYR 566 N -1.17 3.51 -0.43 1.61 5.04 -1.26 -4.52 117.35 120.13 2py3 s TYR 566 Ca 0.59 1.17 -0.10 0.00 -2.44 0.00 0.00 57.07 56.28 2py3 s TYR 566 Cb -0.48 -2.82 0.08 0.00 0.35 0.00 0.00 41.96 39.09 2py3 s TYR 566 CO 0.60 -0.00 0.29 0.00 -1.34 0.00 0.00 175.55 175.10 2py3 s ALA 567 N 1.18 3.35 0.63 3.97 0.00 -1.26 -4.90 121.76 124.73 2py3 s ALA 567 Ca 0.35 -2.18 0.33 0.00 0.00 0.00 0.00 51.96 50.46 2py3 s ALA 567 Cb -0.17 -2.75 1.83 0.00 0.00 0.00 0.00 23.12 22.03 2py3 s ALA 567 CO 0.15 -1.69 2.11 0.66 0.00 0.00 0.00 175.76 177.00 2py3 h SER 568 N 8.48 0.00 -0.20 0.00 4.64 -1.85 -2.62 113.55 122.00 2py3 h SER 568 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2py3 h SER 568 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2py3 h SER 568 CO 0.79 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 2py3 n LYS 569 N -3.38 2.17 0.00 4.77 4.76 -0.02 -4.94 118.16 121.52 2py3 n LYS 569 Ca -0.00 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.70 2py3 n LYS 569 Cb 0.29 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2py3 n LYS 569 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2py3 n GLY 570 N 1.34 -1.42 3.84 0.72 0.00 -0.99 -4.63 105.19 104.05 2py3 n GLY 570 Ca 0.17 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 2py3 n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 s ASN 571 N -4.00 6.73 0.36 1.61 2.20 -1.26 -0.77 114.94 119.81 2py3 s ASN 571 Ca 0.00 1.51 0.09 0.00 -0.94 0.00 0.00 52.86 53.52 2py3 s ASN 571 Cb 0.00 -2.47 0.82 0.00 -2.00 0.00 0.00 41.25 37.60 2py3 s ASN 571 CO 0.00 -0.43 1.87 0.25 -2.94 0.00 0.00 177.10 175.85 2py3 h LEU 572 N 1.48 0.65 0.14 3.54 5.85 -0.37 -0.50 115.31 126.10 2py3 h LEU 572 Ca -0.48 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2py3 h LEU 572 Cb 1.18 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2py3 h LEU 572 CO 0.62 0.33 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.89 2py3 h ARG 573 N 0.68 -0.18 -0.64 1.25 2.43 -1.78 -0.98 114.38 115.17 2py3 h ARG 573 Ca 0.44 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.56 2py3 h ARG 573 Cb 0.72 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2py3 h ARG 573 CO -0.20 -0.02 0.15 0.93 -1.51 0.00 0.00 179.97 179.32 2py3 h GLU 574 N -0.31 1.01 0.05 0.20 5.08 -1.80 -2.60 114.58 116.21 2py3 h GLU 574 Ca -0.02 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2py3 h GLU 574 Cb 0.25 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2py3 h GLU 574 CO 0.03 0.89 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.83 2py3 h TYR 575 N 0.96 -0.49 -0.51 4.33 3.20 -0.84 -2.05 116.97 121.57 2py3 h TYR 575 Ca 0.20 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 2py3 h TYR 575 Cb 0.34 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2py3 h TYR 575 CO 0.02 -0.27 0.13 -0.07 -1.64 0.00 0.00 178.16 176.33 2py3 h LEU 576 N -0.33 0.77 -1.19 2.82 3.38 -1.11 -2.93 115.31 116.72 2py3 h LEU 576 Ca 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2py3 h LEU 576 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2py3 h LEU 576 CO -0.14 0.80 0.31 0.03 0.09 0.00 0.00 178.44 179.53 2py3 h ARG 577 N 0.70 0.88 0.00 1.13 3.08 -1.30 -1.50 114.38 117.37 2py3 h ARG 577 Ca 0.16 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2py3 h ARG 577 Cb 0.33 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2py3 h ARG 577 CO 0.00 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 2py3 h ALA 578 N 1.46 1.00 -0.48 0.04 0.00 -1.24 -2.94 119.26 117.11 2py3 h ALA 578 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 2py3 h ALA 578 Cb 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 2py3 h ALA 578 CO -0.03 0.00 0.10 0.54 0.00 0.00 0.00 179.25 179.86 2py3 n ARG 579 N -2.48 2.53 -2.86 0.00 1.74 -0.58 -4.69 116.66 110.32 2py3 n ARG 579 Ca 0.03 -3.05 -0.33 0.00 -0.77 0.00 0.00 57.85 53.72 2py3 n ARG 579 Cb 0.31 -1.94 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 2py3 n ARG 579 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2py3 s ARG 580 N -3.10 4.20 0.25 5.56 0.52 -1.11 -3.77 118.95 121.51 2py3 s ARG 580 Ca 0.47 1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 56.44 2py3 s ARG 580 Cb 0.40 -2.22 -0.13 0.00 0.52 0.00 0.00 34.95 33.52 2py3 s ARG 580 CO 0.06 -0.00 1.36 -2.30 0.02 0.00 0.00 175.30 174.44 2py3 n PRO 581 N -0.60 1.98 0.18 3.54 -0.02 -1.26 -4.79 135.00 134.03 2py3 n PRO 581 Ca 0.07 0.70 0.02 0.00 -2.02 0.00 0.00 63.50 62.27 2py3 n PRO 581 Cb 0.54 -2.33 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 2py3 n PRO 581 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2py3 h PRO 582 N 3.84 0.00 0.00 0.52 0.11 -1.99 -3.54 132.00 130.95 2py3 h PRO 582 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2py3 h PRO 582 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2py3 h PRO 582 CO 0.73 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 2py3 n GLY 583 N -1.27 0.00 0.80 -0.55 0.00 -1.26 -5.29 105.19 97.60 2py3 n GLY 583 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2py3 n GLY 583 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2py3 n GLU 595 N -0.31 -2.03 -3.23 1.61 -0.58 -1.26 -5.17 120.64 109.67 2py3 n GLU 595 Ca 0.00 1.59 -0.39 0.00 -0.42 0.00 0.00 57.16 57.94 2py3 n GLU 595 Cb 0.00 -2.06 -0.06 0.00 -0.57 0.00 0.00 31.44 28.75 2py3 n GLU 595 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2py3 s GLU 596 N -4.45 4.21 0.86 3.49 1.03 -1.26 -4.99 118.70 117.58 2py3 s GLU 596 Ca 0.00 0.46 -0.12 0.00 0.03 0.00 0.00 54.97 55.34 2py3 s GLU 596 Cb 0.00 -3.55 0.11 0.00 -0.80 0.00 0.00 34.13 29.89 2py3 s GLU 596 CO 0.00 -0.13 1.18 -0.65 -1.33 0.00 0.00 175.26 174.33 2py3 s GLN 597 N 1.57 1.34 -0.00 -4.83 -0.21 -1.26 -4.76 119.66 111.51 2py3 s GLN 597 Ca 0.25 1.66 -0.20 0.00 0.02 0.00 0.00 55.36 57.09 2py3 s GLN 597 Cb -0.15 -1.75 -0.05 0.00 1.00 0.00 0.00 33.01 32.05 2py3 s GLN 597 CO 0.10 -2.42 0.58 -1.64 -2.12 0.00 0.00 175.29 169.79 2py3 s MET 598 N -4.39 4.29 0.60 2.91 -1.94 -1.25 -5.07 119.30 114.45 2py3 s MET 598 Ca 0.70 0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 55.34 2py3 s MET 598 Cb -0.26 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.27 2py3 s MET 598 CO 0.54 0.40 0.89 0.95 -0.01 0.00 0.00 175.02 177.78 2py3 s THR 599 N -0.27 3.29 0.29 2.05 -4.23 -1.26 -4.95 115.64 110.57 2py3 s THR 599 Ca 0.30 -0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 2py3 s THR 599 Cb -0.18 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.60 2py3 s THR 599 CO 0.17 -0.30 1.95 0.15 -0.54 0.00 0.00 174.62 176.05 2py3 h PHE 600 N -0.18 1.04 -0.69 3.99 3.57 -1.98 -1.90 116.94 120.79 2py3 h PHE 600 Ca -0.45 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 2py3 h PHE 600 Cb 1.27 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2py3 h PHE 600 CO 0.43 0.67 0.14 -0.22 -2.23 0.00 0.00 178.31 177.10 2py3 h LYS 601 N 1.11 1.13 -0.82 1.11 3.64 -1.98 -1.61 116.57 119.15 2py3 h LYS 601 Ca 0.30 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2py3 h LYS 601 Cb -0.10 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 2py3 h LYS 601 CO -0.06 1.01 0.50 -0.44 -2.27 0.00 0.00 179.45 178.20 2py3 h ASP 602 N 1.06 0.98 -0.28 4.20 3.32 -1.73 0.21 116.42 124.20 2py3 h ASP 602 Ca 0.21 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2py3 h ASP 602 Cb 0.41 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2py3 h ASP 602 CO 0.01 0.75 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.10 2py3 h LEU 603 N 1.13 0.57 -0.64 1.55 3.38 -1.07 -0.15 115.31 120.10 2py3 h LEU 603 Ca 0.30 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2py3 h LEU 603 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2py3 h LEU 603 CO -0.06 0.84 0.05 0.58 0.09 0.00 0.00 178.44 179.94 2py3 h VAL 604 N 0.31 1.27 -0.57 1.22 2.07 -0.97 -1.50 116.25 118.08 2py3 h VAL 604 Ca 0.07 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 2py3 h VAL 604 Cb 0.61 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2py3 h VAL 604 CO 0.04 0.41 0.12 -1.28 0.02 0.00 0.00 177.57 176.87 2py3 h SER 605 N 1.00 0.83 -0.48 0.57 0.87 -0.46 0.88 113.55 116.76 2py3 h SER 605 Ca 0.19 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2py3 h SER 605 Cb 0.51 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2py3 h SER 605 CO 0.02 0.83 0.07 0.00 -0.53 0.00 0.00 176.83 177.22 2py3 h THR 607 N 0.68 1.27 -0.48 0.00 2.02 -0.87 -2.71 112.91 112.82 2py3 h THR 607 Ca 0.15 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 2py3 h THR 607 Cb 0.41 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2py3 h THR 607 CO 0.01 0.42 0.15 0.22 0.37 0.00 0.00 175.52 176.69 2py3 h TYR 608 N 0.77 0.79 -0.80 3.16 3.20 -0.67 -1.91 116.97 121.50 2py3 h TYR 608 Ca 0.13 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2py3 h TYR 608 Cb 0.63 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2py3 h TYR 608 CO 0.05 0.69 0.53 1.96 -1.64 0.00 0.00 178.16 179.75 2py3 h GLN 609 N 0.65 1.05 -0.33 1.82 4.20 -1.10 -1.96 115.11 119.45 2py3 h GLN 609 Ca 0.16 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2py3 h GLN 609 Cb 0.28 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2py3 h GLN 609 CO -0.00 0.70 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.51 2py3 h LEU 610 N 1.08 0.69 -0.73 1.46 3.38 -1.30 -1.19 115.31 118.71 2py3 h LEU 610 Ca 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2py3 h LEU 610 Cb -0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2py3 h LEU 610 CO -0.07 0.93 0.37 0.00 0.09 0.00 0.00 178.44 179.76 2py3 h ALA 611 N 1.12 0.94 -0.55 1.53 0.00 -1.01 0.88 119.26 122.17 2py3 h ALA 611 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2py3 h ALA 611 Cb 0.76 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2py3 h ALA 611 CO 0.06 0.48 0.22 0.00 0.00 0.00 0.00 179.25 180.01 2py3 h ARG 612 N 1.01 0.82 -0.31 0.00 2.47 -1.06 0.27 114.38 117.58 2py3 h ARG 612 Ca 0.25 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2py3 h ARG 612 Cb 0.09 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2py3 h ARG 612 CO -0.04 0.71 0.18 0.78 0.56 0.00 0.00 179.97 182.17 2py3 h GLY 613 N 0.75 0.43 1.66 0.04 0.00 -0.51 -1.02 103.07 104.42 2py3 h GLY 613 Ca 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2py3 h GLY 613 CO -0.01 0.12 -0.35 -0.33 0.00 0.00 0.00 176.54 175.97 2py3 h MET 614 N 0.37 0.39 -0.55 4.80 2.86 -0.55 -1.66 114.93 120.60 2py3 h MET 614 Ca 0.12 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2py3 h MET 614 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2py3 h MET 614 CO -0.06 0.69 0.27 1.49 1.06 0.00 0.00 176.91 180.36 2py3 h GLU 615 N 0.33 0.78 -0.15 1.72 4.81 -0.05 -1.07 114.58 120.96 2py3 h GLU 615 Ca 0.04 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2py3 h GLU 615 Cb 0.78 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2py3 h GLU 615 CO 0.06 0.64 0.05 -0.92 -0.73 0.00 0.00 179.01 178.11 2py3 h TYR 616 N 0.74 0.24 -0.48 0.92 5.03 -0.92 -2.02 116.97 120.47 2py3 h TYR 616 Ca 0.19 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.56 2py3 h TYR 616 Cb 0.11 -0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.25 2py3 h TYR 616 CO -0.01 0.33 0.05 1.25 -1.32 0.00 0.00 178.16 178.47 2py3 h LEU 617 N 0.07 -0.09 -1.36 2.82 5.85 -1.06 -0.54 115.31 121.00 2py3 h LEU 617 Ca 0.05 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2py3 h LEU 617 Cb 0.21 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2py3 h LEU 617 CO -0.00 -0.02 0.11 0.00 -0.34 0.00 0.00 178.44 178.20 2py3 h ALA 618 N 1.40 1.50 0.00 1.25 0.00 -1.11 -0.16 119.26 122.14 2py3 h ALA 618 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2py3 h ALA 618 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2py3 h ALA 618 CO -0.35 0.38 0.00 0.66 0.00 0.00 0.00 179.25 179.94 2py3 h SER 619 N 0.54 0.00 -0.60 0.00 4.64 -0.36 -1.56 113.55 116.21 2py3 h SER 619 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2py3 h SER 619 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2py3 h SER 619 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2py3 n GLN 620 N -3.03 4.06 -2.86 4.77 1.13 -0.16 -4.93 117.38 116.36 2py3 n GLN 620 Ca 0.00 -2.86 -0.21 0.00 -1.94 0.00 0.00 57.00 51.99 2py3 n GLN 620 Cb 0.28 -2.02 0.02 0.00 0.11 0.00 0.00 30.24 28.62 2py3 n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2py3 n LYS 621 N 0.91 -3.66 -4.55 -1.09 5.02 -0.59 -4.93 118.16 109.27 2py3 n LYS 621 Ca 0.26 0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 57.05 2py3 n LYS 621 Cb 0.98 -5.61 -0.13 0.00 -0.02 0.00 0.00 35.03 30.24 2py3 n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2py3 s ILE 623 N 0.45 3.89 -0.05 0.00 -4.36 -0.24 -3.94 121.20 116.96 2py3 s ILE 623 Ca -0.07 -0.33 -0.24 0.00 -0.26 0.00 0.00 60.65 59.75 2py3 s ILE 623 Cb -0.15 -2.76 -0.23 0.00 1.25 0.00 0.00 42.46 40.57 2py3 s ILE 623 CO 0.04 0.43 1.05 -0.74 0.24 0.00 0.00 174.94 175.96 2py3 h HIS 624 N 7.45 0.27 0.00 1.37 -0.00 -1.91 0.20 115.15 122.53 2py3 h HIS 624 Ca -0.36 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 2py3 h HIS 624 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 2py3 h HIS 624 CO 0.58 0.93 0.00 0.54 -0.00 0.00 0.00 177.93 179.98 2py3 n ARG 625 N -4.50 0.00 -2.53 5.26 1.74 -1.26 -2.93 116.66 112.44 2py3 n ARG 625 Ca -0.10 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 2py3 n ARG 625 Cb 0.50 -2.57 0.04 0.00 -1.02 0.00 0.00 32.46 29.41 2py3 n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2py3 n ASP 626 N 0.00 2.72 -4.74 0.55 4.64 -1.26 -4.82 116.55 113.64 2py3 n ASP 626 Ca 0.00 -2.63 -0.41 0.00 -1.38 0.00 0.00 54.79 50.37 2py3 n ASP 626 Cb 0.00 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 39.62 2py3 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2py3 s LEU 627 N -3.70 4.40 -0.29 -2.67 2.96 -1.26 -4.80 118.68 113.32 2py3 s LEU 627 Ca 0.35 2.46 -0.35 0.00 -0.22 0.00 0.00 54.13 56.37 2py3 s LEU 627 Cb 0.35 -3.61 0.17 0.00 0.50 0.00 0.00 46.19 43.60 2py3 s LEU 627 CO -0.01 -0.59 1.38 0.00 -1.32 0.00 0.00 176.35 175.80 2py3 s ALA 628 N 0.24 -2.18 0.34 5.97 0.00 -1.26 -4.86 121.76 120.01 2py3 s ALA 628 Ca 0.59 1.91 0.06 0.00 0.00 0.00 0.00 51.96 54.52 2py3 s ALA 628 Cb -0.38 -0.77 0.74 0.00 0.00 0.00 0.00 23.12 22.71 2py3 s ALA 628 CO 0.38 -0.45 1.87 0.00 0.00 0.00 0.00 175.76 177.56 2py3 h ALA 629 N 2.01 1.73 0.00 0.00 0.00 -1.93 0.25 119.26 121.32 2py3 h ALA 629 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2py3 h ALA 629 Cb 1.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2py3 h ALA 629 CO 0.20 0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.37 2py3 n ARG 630 N -4.56 0.02 -0.59 0.00 1.85 -1.26 -2.26 116.66 109.85 2py3 n ARG 630 Ca 0.17 0.30 0.04 0.00 -1.00 0.00 0.00 57.85 57.36 2py3 n ARG 630 Cb 0.41 -1.53 0.24 0.00 -1.05 0.00 0.00 32.46 30.53 2py3 n ARG 630 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2py3 n ASN 631 N -1.57 3.50 -4.25 2.89 5.03 0.88 -4.85 115.26 116.90 2py3 n ASN 631 Ca 0.03 -3.26 -0.29 0.00 0.87 0.00 0.00 54.58 51.93 2py3 n ASN 631 Cb 0.15 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.16 2py3 n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2py3 s VAL 632 N -2.97 1.81 0.08 2.41 1.01 -0.96 -0.68 120.40 121.10 2py3 s VAL 632 Ca 0.44 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2py3 s VAL 632 Cb 0.37 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2py3 s VAL 632 CO 0.06 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.80 2py3 s LEU 633 N -0.44 2.95 -0.14 3.92 1.43 0.68 -0.05 118.68 127.04 2py3 s LEU 633 Ca 0.06 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2py3 s LEU 633 Cb -0.10 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2py3 s LEU 633 CO 0.00 0.20 -0.18 -0.69 0.23 0.00 0.00 176.35 175.91 2py3 s VAL 634 N -1.14 2.46 0.92 -1.59 1.01 0.05 0.03 120.40 122.14 2py3 s VAL 634 Ca 0.19 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2py3 s VAL 634 Cb -0.11 -2.01 0.19 0.00 0.00 0.00 0.00 36.38 34.46 2py3 s VAL 634 CO 0.11 0.53 1.27 0.42 0.00 0.00 0.00 175.10 177.43 2py3 s THR 635 N 0.66 2.02 0.42 3.92 -4.23 -0.74 -0.84 115.64 116.85 2py3 s THR 635 Ca -0.09 -0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 2py3 s THR 635 Cb -0.16 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.06 2py3 s THR 635 CO 0.02 0.00 2.05 1.05 -0.54 0.00 0.00 174.62 177.20 2py3 h GLU 636 N -1.46 0.50 -0.85 3.99 9.09 -1.91 -1.51 114.58 122.43 2py3 h GLU 636 Ca -0.43 -0.03 -0.30 0.00 0.05 0.00 0.00 59.36 58.66 2py3 h GLU 636 Cb 1.24 -0.11 -0.18 0.00 -1.65 0.00 0.00 28.75 28.05 2py3 h GLU 636 CO 0.37 0.33 0.38 0.09 0.05 0.00 0.00 179.01 180.22 2py3 n ASN 637 N -4.48 4.39 -2.86 3.06 3.02 -1.26 -4.92 115.26 112.22 2py3 n ASN 637 Ca 0.04 -3.26 -0.21 0.00 -0.03 0.00 0.00 54.58 51.12 2py3 n ASN 637 Cb 0.11 -0.76 0.02 0.00 -0.61 0.00 0.00 39.78 38.53 2py3 n ASN 637 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2py3 n ASN 638 N -0.41 -5.57 -4.76 6.41 3.02 -0.57 -4.97 115.26 108.41 2py3 n ASN 638 Ca 0.44 -0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 2py3 n ASN 638 Cb 1.42 -4.56 -0.05 0.00 -0.61 0.00 0.00 39.78 35.98 2py3 n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2py3 s VAL 639 N -3.06 4.75 -0.04 2.41 1.01 -1.26 -4.81 120.40 119.40 2py3 s VAL 639 Ca 0.21 1.48 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 2py3 s VAL 639 Cb -0.10 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2py3 s VAL 639 CO 0.26 0.41 0.63 -0.04 0.00 0.00 0.00 175.10 176.36 2py3 s MET 640 N -0.29 4.38 -0.15 2.72 1.00 -1.26 -1.79 119.30 123.90 2py3 s MET 640 Ca 0.35 0.77 -0.00 0.00 0.00 0.00 0.00 55.69 56.81 2py3 s MET 640 Cb -0.20 -3.39 0.03 0.00 0.00 0.00 0.00 34.83 31.27 2py3 s MET 640 CO 0.21 0.23 -0.07 0.15 0.00 0.00 0.00 175.02 175.54 2py3 s LYS 641 N 0.27 1.60 0.17 2.03 1.02 0.10 -4.30 119.74 120.64 2py3 s LYS 641 Ca 0.33 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.53 2py3 s LYS 641 Cb -0.18 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 2py3 s LYS 641 CO 0.17 -0.37 1.53 0.42 -0.92 0.00 0.00 175.35 176.18 2py3 s ILE 642 N 1.62 2.70 0.00 2.17 1.01 -0.44 -0.23 121.20 128.03 2py3 s ILE 642 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2py3 s ILE 642 Cb -0.14 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 2py3 s ILE 642 CO -0.08 0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.91 2py3 n ALA 643 N 3.69 0.01 -3.27 9.38 0.00 0.14 -1.31 120.51 129.14 2py3 n ALA 643 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2py3 n ALA 643 Cb 0.39 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.86 2py3 n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2py3 n ASP 644 N -2.55 -6.72 -1.50 0.00 2.03 -1.26 -4.81 116.55 101.74 2py3 n ASP 644 Ca 0.00 -0.19 -0.09 0.00 0.52 0.00 0.00 54.79 55.04 2py3 n ASP 644 Cb 0.01 -3.83 0.10 0.00 -0.72 0.00 0.00 41.12 36.68 2py3 n ASP 644 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2py3 n PHE 645 N -1.43 1.34 0.30 -0.67 3.01 -1.26 -4.44 117.46 114.31 2py3 n PHE 645 Ca -0.07 -0.99 0.09 0.00 1.01 0.00 0.00 57.45 57.49 2py3 n PHE 645 Cb 0.57 -0.52 0.41 0.00 -0.01 0.00 0.00 39.48 39.92 2py3 n PHE 645 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2py3 n GLY 646 N -0.17 -1.00 0.00 1.37 0.00 -1.26 -2.61 105.19 101.52 2py3 n GLY 646 Ca 0.25 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2py3 n GLY 646 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2py3 n LEU 647 N -1.98 0.64 -4.71 0.99 4.77 -1.26 -4.80 117.00 110.63 2py3 n LEU 647 Ca 0.01 -0.73 -0.37 0.00 -0.03 0.00 0.00 56.01 54.90 2py3 n LEU 647 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2py3 n LEU 647 CO 0.13 0.16 0.86 0.00 -1.33 0.00 0.00 177.39 177.21 2py3 n ALA 648 N -0.19 0.91 -3.00 -1.18 0.00 -1.07 -4.75 120.51 111.23 2py3 n ALA 648 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 2py3 n ALA 648 Cb 0.03 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.10 2py3 n ALA 648 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2py3 s ARG 649 N -3.44 0.72 0.39 0.00 1.81 0.06 -4.97 118.95 113.52 2py3 s ARG 649 Ca 0.81 -0.49 -0.25 0.00 -1.72 0.00 0.00 55.73 54.08 2py3 s ARG 649 Cb -0.37 0.31 -0.09 0.00 -0.45 0.00 0.00 34.95 34.35 2py3 s ARG 649 CO 0.42 -0.22 1.10 0.34 -0.68 0.00 0.00 175.30 176.26 2py3 s ASP 650 N -1.91 6.72 0.47 0.23 -1.08 -1.26 -1.08 116.67 118.76 2py3 s ASP 650 Ca -0.07 2.18 0.30 0.00 -0.52 0.00 0.00 52.55 54.44 2py3 s ASP 650 Cb -0.02 -2.60 1.38 0.00 -1.46 0.00 0.00 42.92 40.21 2py3 s ASP 650 CO -0.02 -0.52 1.73 -0.29 0.52 0.00 0.00 175.17 176.59 2py3 h ILE 651 N 2.34 0.35 -0.01 4.11 6.09 -0.96 0.40 117.51 129.82 2py3 h ILE 651 Ca -0.48 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2py3 h ILE 651 Cb 1.22 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.69 2py3 h ILE 651 CO 0.63 0.03 -0.07 0.59 -3.07 0.00 0.00 178.15 176.25 2py3 n ASN 652 N -4.44 1.27 -3.56 2.19 3.02 -1.26 -4.36 115.26 108.13 2py3 n ASN 652 Ca 0.30 -1.28 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 2py3 n ASN 652 Cb 1.22 0.03 0.01 0.00 -0.61 0.00 0.00 39.78 40.43 2py3 n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2py3 n ASN 653 N -0.14 6.97 -3.75 6.41 4.05 0.14 -4.90 115.26 124.04 2py3 n ASN 653 Ca 0.17 -3.68 -0.14 0.00 0.45 0.00 0.00 54.58 51.38 2py3 n ASN 653 Cb 0.34 -1.09 -0.15 0.00 1.23 0.00 0.00 39.78 40.11 2py3 n ASN 653 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2py3 s ILE 654 N -4.32 -0.06 -0.93 -1.44 -1.09 -1.26 -4.67 121.20 107.44 2py3 s ILE 654 Ca 0.40 0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.83 2py3 s ILE 654 Cb 0.20 -0.20 0.13 0.00 -1.58 0.00 0.00 42.46 41.01 2py3 s ILE 654 CO -0.13 0.08 1.14 -0.62 -1.23 0.00 0.00 174.94 174.18 2py3 s ASP 655 N 1.17 6.62 0.23 3.58 -1.08 -1.26 -5.01 116.67 120.92 2py3 s ASP 655 Ca -0.09 -2.00 -0.31 0.00 -0.52 0.00 0.00 52.55 49.63 2py3 s ASP 655 Cb -0.12 -2.41 -0.14 0.00 -1.46 0.00 0.00 42.92 38.80 2py3 s ASP 655 CO -0.05 -1.09 1.41 -1.22 0.52 0.00 0.00 175.17 174.74 2py3 n TYR 656 N 6.67 2.14 -0.86 -5.34 4.02 -1.26 -2.82 117.16 119.72 2py3 n TYR 656 Ca 0.24 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.56 2py3 n TYR 656 Cb 0.49 -2.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.35 2py3 n TYR 656 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2py3 n TYR 657 N 2.01 0.00 -2.96 -0.72 0.53 -0.01 -5.01 117.16 111.00 2py3 n TYR 657 Ca 0.12 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.61 2py3 n TYR 657 Cb 0.31 -0.28 -0.06 0.00 -1.03 0.00 0.00 39.34 38.28 2py3 n TYR 657 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 2py3 s LYS 658 N -0.18 4.60 0.62 -0.72 -0.14 -1.13 -4.94 119.74 117.86 2py3 s LYS 658 Ca 0.00 1.19 0.39 0.00 -1.36 0.00 0.00 55.97 56.19 2py3 s LYS 658 Cb 0.00 -3.26 2.06 0.00 -1.68 0.00 0.00 37.83 34.95 2py3 s LYS 658 CO 0.00 0.57 2.26 1.57 -0.76 0.00 0.00 175.35 178.98 2py3 h LYS 659 N 4.30 0.00 -0.00 1.68 2.10 -1.95 -2.16 116.57 120.53 2py3 h LYS 659 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2py3 h LYS 659 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2py3 h LYS 659 CO 0.66 0.01 -0.37 0.25 -2.00 0.00 0.00 179.45 178.01 2py3 n THR 660 N -3.23 0.00 -2.41 0.07 -2.24 -1.26 -4.84 114.28 100.38 2py3 n THR 660 Ca -0.02 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 2py3 n THR 660 Cb 0.14 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 2py3 n THR 660 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2py3 s THR 661 N -2.76 3.74 -0.57 4.28 2.01 -0.82 -3.47 115.64 118.05 2py3 s THR 661 Ca 0.18 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.58 2py3 s THR 661 Cb 0.18 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2py3 s THR 661 CO 0.61 0.20 0.00 0.59 -0.69 0.00 0.00 174.62 175.33 2py3 n ASN 662 N 2.88 -4.45 0.06 3.53 3.02 -1.26 -4.89 115.26 114.15 2py3 n ASN 662 Ca 0.05 0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 2py3 n ASN 662 Cb 0.45 -2.42 0.37 0.00 -0.61 0.00 0.00 39.78 37.57 2py3 n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2py3 n GLY 663 N -1.27 -1.06 1.08 7.41 0.00 -1.23 -3.08 105.19 107.03 2py3 n GLY 663 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.01 2py3 n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py3 n ARG 664 N -1.82 2.64 -3.71 1.61 1.74 -1.26 -4.97 116.66 110.88 2py3 n ARG 664 Ca 0.02 -2.96 -0.36 0.00 -0.77 0.00 0.00 57.85 53.78 2py3 n ARG 664 Cb 0.17 -1.87 -0.09 0.00 -1.02 0.00 0.00 32.46 29.65 2py3 n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2py3 s LEU 665 N -2.98 4.14 -0.22 0.55 1.43 -1.18 -5.02 118.68 115.40 2py3 s LEU 665 Ca 0.44 0.16 -0.35 0.00 -1.03 0.00 0.00 54.13 53.35 2py3 s LEU 665 Cb 0.37 -2.09 -0.12 0.00 0.03 0.00 0.00 46.19 44.38 2py3 s LEU 665 CO 0.07 0.13 1.97 -2.65 0.23 0.00 0.00 176.35 176.10 2py3 n PRO 666 N 3.88 1.59 -0.31 1.29 -0.02 -1.26 -4.83 135.00 135.34 2py3 n PRO 666 Ca -0.16 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2py3 n PRO 666 Cb 0.52 -2.51 0.32 0.00 -0.02 0.00 0.00 33.50 31.81 2py3 n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2py3 h VAL 667 N 6.05 0.47 0.00 -1.45 2.07 -1.95 -2.18 116.25 119.26 2py3 h VAL 667 Ca -0.41 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2py3 h VAL 667 Cb 1.30 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2py3 h VAL 667 CO 0.98 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.93 2py3 n LYS 668 N -5.04 0.12 -0.01 1.57 5.02 -1.26 -2.23 118.16 116.34 2py3 n LYS 668 Ca 0.23 0.40 0.03 0.00 -2.02 0.00 0.00 58.31 56.95 2py3 n LYS 668 Cb 0.67 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2py3 n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2py3 n TRP 669 N -1.98 0.02 -3.25 2.13 8.01 -0.84 -4.96 117.44 116.56 2py3 n TRP 669 Ca 0.02 -0.04 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 2py3 n TRP 669 Cb 0.18 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.42 2py3 n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2py3 s MET 670 N -0.60 4.27 0.31 -0.99 1.75 -0.95 -3.92 119.30 119.17 2py3 s MET 670 Ca 0.08 0.67 -0.29 0.00 -1.25 0.00 0.00 55.69 54.90 2py3 s MET 670 Cb 0.06 -3.33 -0.10 0.00 2.84 0.00 0.00 34.83 34.29 2py3 s MET 670 CO 0.09 0.39 1.24 0.00 -0.65 0.00 0.00 175.02 176.09 2py3 s ALA 671 N -0.24 3.47 0.24 4.11 0.00 -1.26 -4.94 121.76 123.14 2py3 s ALA 671 Ca 0.29 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 2py3 s ALA 671 Cb -0.18 -3.43 0.44 0.00 0.00 0.00 0.00 23.12 19.95 2py3 s ALA 671 CO 0.16 -0.49 1.69 -1.35 0.00 0.00 0.00 175.76 175.77 2py3 h PRO 672 N 3.54 0.27 0.00 0.00 0.11 -1.96 0.05 132.00 134.02 2py3 h PRO 672 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2py3 h PRO 672 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2py3 h PRO 672 CO 0.66 0.18 -0.02 1.05 -0.21 0.00 0.00 178.00 179.66 2py3 h GLU 673 N 0.28 0.00 -0.93 1.05 9.09 -1.92 -0.76 114.58 121.39 2py3 h GLU 673 Ca 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.80 2py3 h GLU 673 Cb 0.66 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.72 2py3 h GLU 673 CO -0.49 0.02 0.54 0.00 0.05 0.00 0.00 179.01 179.13 2py3 h ALA 674 N 1.98 1.20 0.03 1.06 0.00 -1.12 -1.31 119.26 121.10 2py3 h ALA 674 Ca -0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 2py3 h ALA 674 Cb 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2py3 h ALA 674 CO 0.00 0.67 -1.84 -0.11 0.00 0.00 0.00 179.25 177.97 2py3 n LEU 675 N -4.34 2.15 -0.09 0.00 7.94 -0.89 -3.24 117.00 118.53 2py3 n LEU 675 Ca 0.10 0.30 -0.10 0.00 -1.11 0.00 0.00 56.01 55.21 2py3 n LEU 675 Cb 0.08 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 2py3 n LEU 675 CO 0.38 0.53 0.91 -0.26 -1.11 0.00 0.00 177.39 177.85 2py3 h PHE 676 N -0.68 0.44 0.00 1.96 0.05 -1.22 -3.30 116.94 114.19 2py3 h PHE 676 Ca -0.47 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.29 2py3 h PHE 676 Cb 1.59 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 39.41 2py3 h PHE 676 CO 0.04 0.40 -0.81 -0.25 -0.18 0.00 0.00 178.31 177.51 2py3 n ASP 677 N -4.77 0.80 -3.40 2.17 8.00 -0.55 -5.02 116.55 113.78 2py3 n ASP 677 Ca -0.02 -0.87 -0.18 0.00 0.71 0.00 0.00 54.79 54.42 2py3 n ASP 677 Cb 0.11 1.02 0.09 0.00 -0.02 0.00 0.00 41.12 42.31 2py3 n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2py3 n ARG 678 N -1.41 -6.79 -4.43 -1.24 5.12 -0.88 -3.79 116.66 103.24 2py3 n ARG 678 Ca 0.03 0.82 -0.22 0.00 -1.93 0.00 0.00 57.85 56.55 2py3 n ARG 678 Cb 0.26 -5.79 -0.09 0.00 -1.16 0.00 0.00 32.46 25.69 2py3 n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2py3 s VAL 679 N -3.34 0.57 -0.30 1.55 -7.23 -1.23 -0.83 120.40 109.59 2py3 s VAL 679 Ca 0.14 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 2py3 s VAL 679 Cb -0.06 -2.49 0.13 0.00 0.56 0.00 0.00 36.38 34.52 2py3 s VAL 679 CO 0.71 0.00 0.69 -0.47 -0.31 0.00 0.00 175.10 175.72 2py3 s TYR 680 N -3.39 -1.25 0.42 2.82 5.04 -1.26 -4.08 117.35 115.64 2py3 s TYR 680 Ca 0.31 2.21 0.04 0.00 -2.44 0.00 0.00 57.07 57.18 2py3 s TYR 680 Cb 0.04 0.75 -0.01 0.00 0.35 0.00 0.00 41.96 43.09 2py3 s TYR 680 CO 0.16 -0.62 0.13 0.25 -1.34 0.00 0.00 175.55 174.13 2py3 n THR 681 N 5.24 0.00 0.08 4.34 -2.24 -1.26 -4.99 114.28 115.45 2py3 n THR 681 Ca -0.13 -2.37 0.04 0.00 -2.27 0.00 0.00 64.05 59.32 2py3 n THR 681 Cb 0.51 0.81 0.45 0.00 -2.10 0.00 0.00 70.33 70.00 2py3 n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2py3 h HIS 682 N 1.63 0.36 0.00 4.78 -0.00 -1.99 -0.93 115.15 118.99 2py3 h HIS 682 Ca -0.33 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.00 2py3 h HIS 682 Cb 1.22 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2py3 h HIS 682 CO 0.00 0.28 -0.15 1.96 -0.00 0.00 0.00 177.93 180.02 2py3 h GLN 683 N 0.37 0.00 -0.12 2.45 1.08 -1.93 -0.19 115.11 116.77 2py3 h GLN 683 Ca 0.09 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 2py3 h GLN 683 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2py3 h GLN 683 CO -0.01 0.15 -0.51 0.77 -0.95 0.00 0.00 178.83 178.28 2py3 h SER 684 N 0.00 0.37 -0.10 1.46 0.02 -1.54 -2.67 113.55 111.09 2py3 h SER 684 Ca -0.00 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2py3 h SER 684 Cb 0.43 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2py3 h SER 684 CO 0.02 0.82 -0.38 0.44 -1.14 0.00 0.00 176.83 176.59 2py3 h ASP 685 N 0.27 0.65 -0.24 3.07 3.45 -0.96 -2.85 116.42 119.80 2py3 h ASP 685 Ca 0.01 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.13 2py3 h ASP 685 Cb 1.00 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 2py3 h ASP 685 CO 0.08 0.96 -0.01 -0.37 -1.57 0.00 0.00 179.24 178.33 2py3 h VAL 686 N 0.51 1.21 -0.11 -1.35 -1.51 -0.95 0.55 116.25 114.60 2py3 h VAL 686 Ca 0.05 -0.85 0.02 0.00 -1.23 0.00 0.00 66.70 64.69 2py3 h VAL 686 Cb 0.89 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2py3 h VAL 686 CO 0.08 0.29 -0.03 -0.25 -1.23 0.00 0.00 177.57 176.43 2py3 h TRP 687 N 0.54 -0.07 -0.82 5.19 2.91 -1.26 -0.58 115.95 121.86 2py3 h TRP 687 Ca 0.11 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.19 2py3 h TRP 687 Cb 0.37 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 2py3 h TRP 687 CO 0.01 -0.05 0.51 0.77 -1.03 0.00 0.00 178.44 178.66 2py3 h SER 688 N -0.01 0.83 -0.74 2.65 0.02 -1.23 -0.52 113.55 114.55 2py3 h SER 688 Ca 0.05 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2py3 h SER 688 Cb 0.09 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 2py3 h SER 688 CO -0.12 0.56 0.49 0.15 -1.14 0.00 0.00 176.83 176.77 2py3 h PHE 689 N 0.97 0.78 -0.45 3.45 3.57 -0.11 -0.33 116.94 124.83 2py3 h PHE 689 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2py3 h PHE 689 Cb 0.08 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2py3 h PHE 689 CO -0.03 0.41 0.30 0.78 -2.23 0.00 0.00 178.31 177.53 2py3 h GLY 690 N 0.77 0.63 1.11 2.40 0.00 0.46 0.92 103.07 109.37 2py3 h GLY 690 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2py3 h GLY 690 CO -0.11 0.23 0.13 -2.08 0.00 0.00 0.00 176.54 174.71 2py3 h VAL 691 N 0.61 1.26 -0.84 4.60 2.07 -0.98 -2.04 116.25 120.93 2py3 h VAL 691 Ca 0.16 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2py3 h VAL 691 Cb -0.07 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2py3 h VAL 691 CO -0.04 0.38 0.53 0.25 0.02 0.00 0.00 177.57 178.72 2py3 h LEU 692 N 1.03 0.87 -0.70 2.57 5.85 -0.55 0.35 115.31 124.73 2py3 h LEU 692 Ca 0.21 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.94 2py3 h LEU 692 Cb 0.41 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2py3 h LEU 692 CO 0.01 0.59 0.46 0.24 -0.34 0.00 0.00 178.44 179.40 2py3 h MET 693 N 1.02 0.91 -0.57 1.25 2.86 -0.28 -0.42 114.93 119.69 2py3 h MET 693 Ca 0.34 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.90 2py3 h MET 693 Cb 0.05 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2py3 h MET 693 CO -0.13 0.60 0.25 2.35 1.06 0.00 0.00 176.91 181.04 2py3 h TRP 694 N 0.94 0.86 -0.58 -0.22 7.01 -0.58 -1.41 115.95 121.96 2py3 h TRP 694 Ca 0.26 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2py3 h TRP 694 Cb -0.09 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 2py3 h TRP 694 CO -0.03 0.68 0.22 0.93 -2.79 0.00 0.00 178.44 177.46 2py3 h GLU 695 N 0.79 0.85 -0.11 2.65 5.08 -0.38 -2.07 114.58 121.38 2py3 h GLU 695 Ca 0.19 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2py3 h GLU 695 Cb 0.17 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2py3 h GLU 695 CO -0.02 0.71 0.01 0.82 -1.00 0.00 0.00 179.01 179.53 2py3 h ILE 696 N 0.84 1.23 0.00 3.13 2.04 -0.62 0.56 117.51 124.69 2py3 h ILE 696 Ca 0.20 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2py3 h ILE 696 Cb 0.18 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2py3 h ILE 696 CO -0.02 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.83 2py3 n PHE 697 N -4.83 0.00 -0.24 1.37 3.72 -0.57 -1.92 117.46 114.99 2py3 n PHE 697 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 2py3 n PHE 697 Cb 0.18 -0.28 0.21 0.00 -0.94 0.00 0.00 39.48 38.65 2py3 n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2py3 n THR 698 N -1.28 0.99 -3.39 4.37 -2.24 -0.80 -4.68 114.28 107.26 2py3 n THR 698 Ca 0.13 -1.00 -0.23 0.00 -2.27 0.00 0.00 64.05 60.68 2py3 n THR 698 Cb 0.21 0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 2py3 n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2py3 n LEU 699 N 0.90 -3.15 0.00 3.22 4.77 -0.81 -3.20 117.00 118.73 2py3 n LEU 699 Ca 0.16 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2py3 n LEU 699 Cb 0.49 -3.03 0.00 0.00 -2.33 0.00 0.00 43.42 38.56 2py3 n LEU 699 CO 0.11 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2py3 n GLY 700 N -1.84 1.30 3.79 -0.72 0.00 0.19 -2.83 105.19 105.08 2py3 n GLY 700 Ca -0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2py3 n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2py3 s GLY 701 N -2.14 1.62 -0.10 -0.02 0.00 -1.19 -4.90 107.32 100.58 2py3 s GLY 701 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 44.72 44.33 2py3 s GLY 701 CO 0.00 0.24 0.51 -0.56 0.00 0.00 0.00 173.10 173.29 2py3 s SER 702 N -3.83 6.74 0.63 1.64 0.01 -1.26 -4.72 113.70 112.92 2py3 s SER 702 Ca 0.61 0.89 -0.18 0.00 1.31 0.00 0.00 55.95 58.58 2py3 s SER 702 Cb -0.15 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 2py3 s SER 702 CO 0.55 0.01 1.22 -2.16 0.41 0.00 0.00 173.24 173.27 2py3 s PRO 703 N 0.50 2.72 -1.25 12.44 0.04 -1.26 -3.66 135.00 144.53 2py3 s PRO 703 Ca 0.27 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.94 2py3 s PRO 703 Cb -0.16 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2py3 s PRO 703 CO 0.12 -1.40 0.61 0.66 0.04 0.00 0.00 177.00 177.03 2py3 n TYR 704 N -1.91 -1.59 -1.71 0.56 4.01 -1.26 -4.84 117.16 110.42 2py3 n TYR 704 Ca 0.14 0.35 -0.43 0.00 -0.16 0.00 0.00 57.90 57.80 2py3 n TYR 704 Cb 0.50 -3.15 -0.02 0.00 -0.31 0.00 0.00 39.34 36.35 2py3 n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2py3 n PRO 705 N -4.62 2.35 -0.59 -0.72 -0.04 -1.24 -1.68 135.00 128.47 2py3 n PRO 705 Ca -0.16 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2py3 n PRO 705 Cb 0.60 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2py3 n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2py3 n GLY 706 N 2.06 1.54 3.42 0.55 0.00 -1.26 -4.99 105.19 106.51 2py3 n GLY 706 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2py3 n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2py3 s ILE 707 N -3.31 4.53 0.49 -0.61 1.01 -0.67 -5.08 121.20 117.55 2py3 s ILE 707 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 2py3 s ILE 707 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 2py3 s ILE 707 CO 0.00 0.04 1.19 -2.16 0.00 0.00 0.00 174.94 174.01 2py3 s PRO 708 N 1.60 3.59 0.36 2.79 0.04 -1.26 -4.90 135.00 137.21 2py3 s PRO 708 Ca 0.04 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.92 2py3 s PRO 708 Cb -0.17 -2.31 0.66 0.00 0.04 0.00 0.00 34.50 32.72 2py3 s PRO 708 CO 0.06 -0.70 2.00 -0.39 0.04 0.00 0.00 177.00 178.01 2py3 h VAL 709 N 1.68 1.16 0.00 -0.36 -1.51 -1.98 -1.86 116.25 113.38 2py3 h VAL 709 Ca -0.50 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 2py3 h VAL 709 Cb 1.26 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2py3 h VAL 709 CO 0.59 0.16 0.00 -1.84 -1.23 0.00 0.00 177.57 175.25 2py3 n GLU 710 N -4.43 0.17 0.00 5.19 0.00 -1.26 -2.20 120.64 118.11 2py3 n GLU 710 Ca 0.05 0.48 0.07 0.00 0.00 0.00 0.00 57.16 57.76 2py3 n GLU 710 Cb 0.07 -1.87 -0.07 0.00 0.00 0.00 0.00 31.44 29.57 2py3 n GLU 710 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2py3 n GLU 711 N -2.19 2.31 0.35 3.44 1.02 -0.73 -4.76 120.64 120.07 2py3 n GLU 711 Ca 0.01 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 56.86 2py3 n GLU 711 Cb 0.16 -1.17 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2py3 n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2py3 h LEU 712 N 0.25 -0.88 -2.71 -4.62 5.85 -1.07 -2.94 115.31 109.18 2py3 h LEU 712 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2py3 h LEU 712 Cb 0.35 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2py3 h LEU 712 CO 0.00 -0.57 0.04 -0.26 -0.34 0.00 0.00 178.44 177.30 2py3 h PHE 713 N -0.92 0.00 0.03 1.25 -1.00 -1.86 0.77 116.94 115.21 2py3 h PHE 713 Ca -0.08 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 2py3 h PHE 713 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2py3 h PHE 713 CO -0.07 0.00 -0.02 0.87 -1.61 0.00 0.00 178.31 177.48 2py3 h LYS 714 N 0.00 -0.04 -0.74 1.51 1.57 -1.86 -2.39 116.57 114.61 2py3 h LYS 714 Ca 0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2py3 h LYS 714 Cb 0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2py3 h LYS 714 CO -0.00 0.52 0.49 -0.07 -0.57 0.00 0.00 179.45 179.82 2py3 h LEU 715 N -0.64 0.81 -0.79 2.94 3.38 -0.92 -2.05 115.31 118.03 2py3 h LEU 715 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2py3 h LEU 715 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2py3 h LEU 715 CO 0.01 0.57 -0.24 -0.07 0.09 0.00 0.00 178.44 178.80 2py3 h LEU 716 N 0.94 0.66 -1.42 1.67 3.38 -0.92 -0.23 115.31 119.39 2py3 h LEU 716 Ca 0.29 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2py3 h LEU 716 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2py3 h LEU 716 CO -0.08 0.88 -0.29 0.11 0.09 0.00 0.00 178.44 179.15 2py3 h LYS 717 N 0.57 0.00 -0.06 1.13 1.79 -0.85 -1.45 116.57 117.70 2py3 h LYS 717 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2py3 h LYS 717 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2py3 h LYS 717 CO 0.05 0.29 0.00 0.39 -1.08 0.00 0.00 179.45 179.11 2py3 n GLU 718 N -4.04 1.23 -0.42 3.15 1.02 -0.88 -4.88 120.64 115.82 2py3 n GLU 718 Ca -0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2py3 n GLU 718 Cb 0.35 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2py3 n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2py3 n GLY 719 N 0.87 0.71 3.76 0.62 0.00 -0.55 -5.04 105.19 105.58 2py3 n GLY 719 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2py3 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2py3 s HIS 720 N -2.84 2.79 -0.01 1.61 5.04 -0.15 -4.98 115.29 116.74 2py3 s HIS 720 Ca 0.00 1.08 -0.09 0.00 -1.54 0.00 0.00 55.06 54.51 2py3 s HIS 720 Cb 0.00 -3.94 0.01 0.00 0.04 0.00 0.00 32.58 28.69 2py3 s HIS 720 CO 0.00 -2.90 0.19 1.03 -2.34 0.00 0.00 174.74 170.71 2py3 s ARG 721 N -1.30 0.48 0.56 2.88 1.81 -1.26 -4.45 118.95 117.67 2py3 s ARG 721 Ca 0.56 -0.24 -0.21 0.00 -1.72 0.00 0.00 55.73 54.13 2py3 s ARG 721 Cb -0.45 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.21 2py3 s ARG 721 CO 0.54 -0.11 1.16 -1.33 -0.68 0.00 0.00 175.30 174.87 2py3 n MET 722 N 1.67 1.30 -1.61 3.54 2.81 -1.26 -4.98 117.12 118.59 2py3 n MET 722 Ca -0.21 0.48 -0.31 0.00 -1.81 0.00 0.00 57.70 55.86 2py3 n MET 722 Cb 0.56 -2.34 0.05 0.00 -0.71 0.00 0.00 33.22 30.77 2py3 n MET 722 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2py3 s ASP 723 N -1.05 5.46 0.24 7.83 -0.00 -1.26 -4.99 116.67 122.90 2py3 s ASP 723 Ca 0.73 1.57 -0.30 0.00 -0.00 0.00 0.00 52.55 54.55 2py3 s ASP 723 Cb -0.43 -2.47 -0.10 0.00 -0.00 0.00 0.00 42.92 39.92 2py3 s ASP 723 CO 0.49 -1.39 1.47 -0.75 -0.00 0.00 0.00 175.17 174.98 2py3 s LYS 724 N -5.07 4.25 0.47 8.23 2.20 -1.26 -4.96 119.74 123.60 2py3 s LYS 724 Ca 0.58 2.33 -0.24 0.00 -0.36 0.00 0.00 55.97 58.28 2py3 s LYS 724 Cb -0.14 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2py3 s LYS 724 CO 0.55 -0.46 1.29 -2.14 -0.36 0.00 0.00 175.35 174.22 2py3 s PRO 725 N -0.19 3.61 0.00 4.03 0.02 -1.26 -4.93 135.00 136.28 2py3 s PRO 725 Ca 0.61 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2py3 s PRO 725 Cb -0.42 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.62 2py3 s PRO 725 CO 0.42 -0.76 0.42 0.00 -0.33 0.00 0.00 177.00 176.75 2py3 n ALA 726 N -0.47 0.00 -3.12 -1.55 0.00 -1.26 -2.63 120.51 111.48 2py3 n ALA 726 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.06 2py3 n ALA 726 Cb 0.45 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 2py3 n ALA 726 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2py3 s ASN 727 N -2.27 7.08 -0.12 0.00 0.01 -1.26 -4.91 114.94 113.48 2py3 s ASN 727 Ca 0.00 -3.07 -0.07 0.00 -0.71 0.00 0.00 52.86 49.01 2py3 s ASN 727 Cb 0.00 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.39 2py3 s ASN 727 CO 0.00 -0.60 0.28 0.00 -1.51 0.00 0.00 177.10 175.27 2py3 s THR 729 N 0.89 3.36 0.48 0.00 -4.23 -1.26 -4.88 115.64 110.01 2py3 s THR 729 Ca -0.06 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 61.34 2py3 s THR 729 Cb -0.07 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.84 2py3 s THR 729 CO -0.06 -0.36 2.10 0.78 -0.54 0.00 0.00 174.62 176.54 2py3 h ASN 730 N 0.30 0.00 -0.14 3.99 2.35 -1.98 -1.56 115.58 118.54 2py3 h ASN 730 Ca -0.47 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.24 2py3 h ASN 730 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 2py3 h ASN 730 CO 0.55 0.10 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.28 2py3 h GLU 731 N 0.00 0.29 -0.28 0.81 4.81 -1.99 -1.15 114.58 117.07 2py3 h GLU 731 Ca -0.00 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 2py3 h GLU 731 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2py3 h GLU 731 CO 0.01 0.62 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.64 2py3 h LEU 732 N -0.04 0.51 -0.77 1.64 3.38 -1.82 -2.51 115.31 115.71 2py3 h LEU 732 Ca 0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2py3 h LEU 732 Cb 0.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2py3 h LEU 732 CO 0.02 0.73 0.06 0.22 0.09 0.00 0.00 178.44 179.55 2py3 h TYR 733 N 0.46 1.06 0.00 1.13 3.20 -1.19 -1.38 116.97 120.25 2py3 h TYR 733 Ca 0.07 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2py3 h TYR 733 Cb 0.62 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2py3 h TYR 733 CO 0.02 0.92 -0.17 0.52 -1.64 0.00 0.00 178.16 177.81 2py3 h MET 734 N 0.92 0.00 -0.24 1.82 2.86 -0.91 -0.36 114.93 119.02 2py3 h MET 734 Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2py3 h MET 734 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2py3 h MET 734 CO 0.02 0.17 -0.19 1.98 1.06 0.00 0.00 176.91 179.94 2py3 h MET 735 N 0.00 0.56 -0.18 1.72 1.85 -0.85 0.19 114.93 118.22 2py3 h MET 735 Ca -0.00 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2py3 h MET 735 Cb 0.50 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 2py3 h MET 735 CO 0.02 0.86 0.11 0.52 -0.40 0.00 0.00 176.91 178.02 2py3 h MET 736 N 0.26 0.24 -1.00 0.39 2.07 -0.66 -1.89 114.93 114.35 2py3 h MET 736 Ca 0.04 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.71 2py3 h MET 736 Cb 0.73 -0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 30.35 2py3 h MET 736 CO 0.05 0.21 0.65 0.00 1.07 0.00 0.00 176.91 178.89 2py3 h ARG 737 N 0.21 1.17 -0.29 1.72 2.47 -0.98 -0.44 114.38 118.24 2py3 h ARG 737 Ca 0.06 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2py3 h ARG 737 Cb 0.03 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 2py3 h ARG 737 CO -0.01 0.77 -0.07 -0.44 0.56 0.00 0.00 179.97 180.78 2py3 h ASP 738 N 1.20 0.44 0.64 7.04 3.32 -0.59 -1.61 116.42 126.87 2py3 h ASP 738 Ca 0.42 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2py3 h ASP 738 Cb 0.12 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2py3 h ASP 738 CO -0.16 0.56 -0.19 0.00 -1.72 0.00 0.00 179.24 177.73 2py3 n TRP 740 N -3.53 2.27 -2.03 0.00 8.01 -0.61 -3.77 117.44 117.78 2py3 n TRP 740 Ca -0.01 -1.20 -0.41 0.00 -1.31 0.00 0.00 57.50 54.57 2py3 n TRP 740 Cb 0.34 -0.68 -0.02 0.00 -2.01 0.00 0.00 31.31 28.95 2py3 n TRP 740 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2py3 s HIS 741 N -2.69 3.00 0.39 -5.99 3.76 -1.09 -4.88 115.29 107.78 2py3 s HIS 741 Ca 0.48 1.15 0.08 0.00 -0.15 0.00 0.00 55.06 56.62 2py3 s HIS 741 Cb 0.39 -3.79 0.80 0.00 1.11 0.00 0.00 32.58 31.09 2py3 s HIS 741 CO 0.11 -2.45 1.96 0.00 -0.85 0.00 0.00 174.74 173.51 2py3 h ALA 742 N 4.42 1.57 -2.34 -1.40 0.00 -1.93 -3.39 119.26 116.19 2py3 h ALA 742 Ca -0.47 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.65 2py3 h ALA 742 Cb 1.22 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2py3 h ALA 742 CO 0.73 0.32 0.05 0.08 0.00 0.00 0.00 179.25 180.43 2py3 s VAL 743 N -5.00 4.93 0.21 0.00 1.01 -1.26 -4.86 120.40 115.44 2py3 s VAL 743 Ca -0.07 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2py3 s VAL 743 Cb 0.16 -4.06 0.21 0.00 0.00 0.00 0.00 36.38 32.69 2py3 s VAL 743 CO 0.73 -0.34 1.59 -0.65 0.00 0.00 0.00 175.10 176.43 2py3 h PRO 744 N 8.56 -0.08 0.00 2.72 0.11 -1.95 0.58 132.00 141.94 2py3 h PRO 744 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2py3 h PRO 744 Cb 1.11 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2py3 h PRO 744 CO 0.82 -0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 2py3 n SER 745 N -5.46 0.40 0.06 -2.05 3.41 -1.26 -1.01 113.62 107.72 2py3 n SER 745 Ca 0.07 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 2py3 n SER 745 Cb 0.37 -0.70 0.36 0.00 -0.26 0.00 0.00 64.21 63.98 2py3 n SER 745 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2py3 n GLN 746 N -1.98 0.19 -2.35 4.33 7.27 0.19 -4.84 117.38 120.19 2py3 n GLN 746 Ca 0.01 0.11 -0.30 0.00 0.07 0.00 0.00 57.00 56.90 2py3 n GLN 746 Cb 0.15 -1.68 -0.01 0.00 2.41 0.00 0.00 30.24 31.11 2py3 n GLN 746 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2py3 s ARG 747 N -3.09 3.66 0.74 3.69 0.52 -0.18 -4.92 118.95 119.37 2py3 s ARG 747 Ca 0.10 0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 2py3 s ARG 747 Cb 0.14 -2.23 0.04 0.00 0.52 0.00 0.00 34.95 33.42 2py3 s ARG 747 CO 0.63 -0.32 1.10 -2.14 0.02 0.00 0.00 175.30 174.59 2py3 s PRO 748 N -4.65 2.44 0.45 3.54 0.02 -1.26 -5.03 135.00 130.50 2py3 s PRO 748 Ca 0.53 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.76 2py3 s PRO 748 Cb -0.10 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 2py3 s PRO 748 CO 0.44 -1.51 0.70 0.95 -0.33 0.00 0.00 177.00 177.25 2py3 s THR 749 N -2.73 4.39 0.41 0.99 -4.23 -1.26 -4.93 115.64 108.29 2py3 s THR 749 Ca 0.63 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.96 2py3 s THR 749 Cb -0.18 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.24 2py3 s THR 749 CO 0.51 -0.52 2.01 -0.26 -0.54 0.00 0.00 174.62 175.83 2py3 h PHE 750 N 0.35 0.39 -0.58 3.99 0.04 -1.94 -1.52 116.94 117.68 2py3 h PHE 750 Ca -0.47 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 2py3 h PHE 750 Cb 1.24 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 2py3 h PHE 750 CO 0.50 0.32 0.38 -0.22 -0.60 0.00 0.00 178.31 178.68 2py3 h LYS 751 N 0.40 0.76 -0.57 1.51 3.64 -1.93 -0.39 116.57 119.99 2py3 h LYS 751 Ca 0.10 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2py3 h LYS 751 Cb 0.10 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2py3 h LYS 751 CO -0.01 0.51 0.11 1.96 -2.27 0.00 0.00 179.45 179.75 2py3 h GLN 752 N 0.78 0.90 -0.63 1.90 4.20 -1.69 -2.10 115.11 118.48 2py3 h GLN 752 Ca 0.21 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2py3 h GLN 752 Cb -0.08 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2py3 h GLN 752 CO -0.04 0.83 0.19 -0.07 -0.67 0.00 0.00 178.83 179.06 2py3 h LEU 753 N 0.86 0.92 -0.17 1.46 3.38 -0.62 -1.57 115.31 119.57 2py3 h LEU 753 Ca 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2py3 h LEU 753 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2py3 h LEU 753 CO 0.00 0.89 0.11 0.58 0.09 0.00 0.00 178.44 180.11 2py3 h VAL 754 N 0.90 1.06 -0.31 1.22 2.07 -0.77 -0.16 116.25 120.27 2py3 h VAL 754 Ca 0.20 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2py3 h VAL 754 Cb 0.30 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2py3 h VAL 754 CO -0.00 0.05 0.17 -0.33 0.02 0.00 0.00 177.57 177.48 2py3 h GLU 755 N 0.21 0.43 -0.31 1.57 5.08 -1.25 0.24 114.58 120.55 2py3 h GLU 755 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2py3 h GLU 755 Cb -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2py3 h GLU 755 CO -0.01 0.36 0.15 -0.44 -1.00 0.00 0.00 179.01 178.07 2py3 h ASP 756 N 0.38 0.41 0.10 1.42 3.32 -1.15 -2.17 116.42 118.74 2py3 h ASP 756 Ca 0.11 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2py3 h ASP 756 Cb 0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2py3 h ASP 756 CO -0.02 0.43 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.59 2py3 h LEU 757 N 0.37 0.28 -0.74 1.55 3.38 -0.87 -1.87 115.31 117.42 2py3 h LEU 757 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2py3 h LEU 757 Cb 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2py3 h LEU 757 CO -0.01 0.55 0.30 -0.78 0.09 0.00 0.00 178.44 178.60 2py3 h ASP 758 N 0.25 1.01 0.03 -0.43 3.58 -0.23 0.10 116.42 120.73 2py3 h ASP 758 Ca 0.04 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2py3 h ASP 758 Cb 0.61 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2py3 h ASP 758 CO 0.04 0.90 -0.01 -0.09 -2.88 0.00 0.00 179.24 177.20 2py3 h ARG 759 N 1.05 -0.04 -0.46 0.28 2.43 -0.95 -1.78 114.38 114.92 2py3 h ARG 759 Ca 0.25 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2py3 h ARG 759 Cb 0.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2py3 h ARG 759 CO -0.02 0.23 0.25 0.82 -1.51 0.00 0.00 179.97 179.73 2py3 h ILE 760 N -0.31 1.00 0.01 1.20 2.04 -1.19 0.23 117.51 120.50 2py3 h ILE 760 Ca -0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2py3 h ILE 760 Cb 0.29 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2py3 h ILE 760 CO 0.01 0.09 -0.03 0.25 0.00 0.00 0.00 178.15 178.46 2py3 h LEU 761 N 0.49 -0.09 -0.25 1.44 5.85 -0.94 -1.91 115.31 119.91 2py3 h LEU 761 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2py3 h LEU 761 Cb 0.06 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2py3 h LEU 761 CO -0.11 -0.05 0.12 0.74 -0.34 0.00 0.00 178.44 178.79 2py3 h THR 762 N -0.06 0.98 -0.01 1.05 2.02 -1.02 -1.81 112.91 114.07 2py3 h THR 762 Ca 0.01 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2py3 h THR 762 Cb 0.07 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2py3 h THR 762 CO -0.03 0.05 -0.18 -0.07 0.37 0.00 0.00 175.52 175.66 2py3 h LEU 763 N 0.25 0.01 -0.48 2.58 3.38 -0.86 -1.71 115.31 118.48 2py3 h LEU 763 Ca 0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2py3 h LEU 763 Cb 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2py3 h LEU 763 CO -0.08 0.19 -0.35 0.74 0.09 0.00 0.00 178.44 179.03 2py3 h THR 764 N 0.01 1.28 -0.75 0.22 2.02 -0.85 -3.05 112.91 111.78 2py3 h THR 764 Ca 0.00 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.60 2py3 h THR 764 Cb 0.32 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2py3 h THR 764 CO 0.02 0.51 0.22 0.74 0.37 0.00 0.00 175.52 177.38 2py3 h THR 765 N 0.72 1.26 -0.02 3.16 2.02 -0.50 -3.51 112.91 116.06 2py3 h THR 765 Ca 0.07 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2py3 h THR 765 Cb 0.92 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2py3 h THR 765 CO 0.09 0.37 0.00 0.59 0.37 0.00 0.00 175.52 176.93